Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 20/20 | 0.58 |
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.53 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.53 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bromide SCHEMBL1190936 | 1.00 | CHRM3 (0.58) | CHRM3CHRM2CHRM1 | |
| SCHEMBL5722164 | 0.99 | CHRM3 (0.59) | CHRM3CHRM2CHRM1 | |
| Bromide SCHEMBL1190950 | 0.91 | CHRM3 (0.53) | CHRM3CHRM2CHRM1 | |
| Bromide SCHEMBL1190949 | 0.91 | CHRM3 (0.53) | CHRM3CHRM2CHRM1 | |
| SCHEMBL6016855 | 0.90 | CHRM3 (0.53) | CHRM3CHRM2CHRM1 | |
| Bromide SCHEMBL1191140 | 0.84 | CHRM3 (0.51) | CHRM3CHRM2CHRM1 | |
| Bromide SCHEMBL1191139 | 0.83 | CHRM3 (0.48) | CHRM3CHRM2CHRM1 | |
| Bromide SCHEMBL9050889 | 0.77 | CHRM3 (0.60) | CHRM3CHRM2CHRM1 | |
| SCHEMBL1190097 | 0.73 | CHRM3 (1.00) | CHRM3 | |
| SCHEMBL9050182 | 0.73 | CHRM3 (0.68) | CHRM3CHRM2CHRM1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3012254-A1 | BIPHENYL DERIVATIVE AND ITS USE FOR TREATING PULMONARY DISORDERS | Theravance Respiratory Company, LLC (US) | 2016-04-27 | — | — | EP | disclosed |
| EP-2246345-B1 | BIPHENYL DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE RESPIRATORY CO LLC (US) | 2016-02-10 | — | — | EP | disclosed |
| US-8969571-B2 | Biphenyl derivatives | THERAVANCE RESPIRATORY COMPANY, LLC (US) | 2015-03-03 | — | — | US | disclosed |
| US-20140235864-A1 | BIPHENYL DERIVATIVES | THERAVANCE, INC. (US) | 2014-08-21 | — | — | US | disclosed |
| US-8618131-B2 | Biphenyl derivatives | THERAVANCE, INC. (US) | 2013-12-31 | — | — | US | disclosed |
| US-20130150404-A1 | BIPHENYL DERIVATIVES | THERAVANCE, INC. (US) | 2013-06-13 | — | — | US | disclosed |
| US-8247564-B2 | Compounds having BETA2 adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE, INC. (US) | 2012-08-21 | — | — | US | disclosed |
| US-8242135-B2 | Biphenyl derivatives | THERAVANCE, INC. (US) | 2012-08-14 | — | — | US | disclosed |
| US-20110312994-A1 | BIPHENYL DERIVATIVES | THERAVANCE, INC. (US) | 2011-12-22 | — | — | US | disclosed |
| US-20110034694-A1 | COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE, INC. (US) | 2011-02-10 | — | — | US | disclosed |
| US-20070037984-A1 | Biphenyl-2-ylcarbamic acid 1-[2-(2-chloro-4-{[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]methyl}-5-methoxyphenyl-carbamoyl)ethyl]piperidin-4-yl ester; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist; bronchodilator agent; pulmonary disorders, asthma | THERAVANCE BIOPHARMA R&D IP, LLC | 2007-02-15 | — | — | US | disclosed |
| US-7141671-B2 | Chronic obstructive pulmonary dusease; asthma | THERAVANCE, INC. (US) | 2006-11-28 | — | — | US | disclosed |
| US-20060229334-A1 | Biphenyl-2-ylcarbamic acid 1-[2-(2-chloro-4-{[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]methyl}-5-methoxyphenyl-carbamoyl)ethyl]piperidin-4-yl ester; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist; bronchodilator agent; pulmonary disorders, asthma | THERAVANCE BIOPHARMA R&D IP, LLC | 2006-10-12 | — | — | US | disclosed |
| US-20060223860-A1 | e.g. 3-(4-{[6-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)-phenyl]ethyl}amino)-hexyl]oxy}butyl)benzenesulfonamide; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity; bronchodilator agent; pulmonary disorders: chronic obstructive pulmonary dusease; asthma | THERAVANCE BIOPHARMA R&D IP, LLC | 2006-10-05 | — | — | US | disclosed |
| US-20060223859-A1 | Chronic obstructive pulmonary dusease; asthma | THERAVANCE BIOPHARMA R&D IP, LLC | 2006-10-05 | — | — | US | disclosed |
| US-20060223858-A1 | Biphenyl derivatives | THERAVANCE BIOPHARMA R&D IP, LLC | 2006-10-05 | — | — | US | disclosed |
| US-20050113417-A1 | Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE BIOPHARMA R&D IP, LLC | 2005-05-26 | — | — | US | disclosed |
| US-20040209860-A1 | compounds having a (biphenyl-2-yl)oxycarbonylamino- or (biphenyl-2-yl)aminocarbonylamino-substituted (2-7C)azacycloalkyl or (5-10C)azabicycloalkyl group; and a 2-(4-hydroxyphenyl)-2-hydroxyethylamino group; treating asthma or chronic obstructive pulmonary disease; providing bronchodilation | THERAVANCE RESPIRATORY COMPANY, LLC | 2004-10-21 | — | — | US | disclosed |
| US-20040209915-A1 | substituted with an N- (p-hydroxy-alpha-hydroxybenzylaminoalkylpiperidinyloxy- (or -amino-)carbonylamino group; useful for identifying compounds having both beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE RESPIRATORY COMPANY, LLC | 2004-10-21 | — | — | US | disclosed |
| US-20040167167-A1 | Chronic obstructive pulmonary dusease; asthma | THERAVANCE BIOPHARMA R&D IP, LLC | 2004-08-26 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070037984-A1 | Biphenyl-2-ylcarbamic acid 1-[2-(2-chloro-4-{[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]methyl}-5-methoxyphenyl-carbamoyl)ethyl]piperidin-4-yl ester; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist; bronchodilator agent; pulmonary disorders, asthma | ADRB2, ADRA2B, ADRB1 | CHRM3 22/4885CHRM2 9/4885CHRM1 18/4885 |
| US-20140235864-A1 | BIPHENYL DERIVATIVES | ADRB1, ADRB2, ADRB3 | CHRM3 11/4885CHRM2 10/4885CHRM1 13/4885 |
| US-20060223858-A1 | Biphenyl derivatives | ADRB1, ADRB2, ADRB3 | CHRM3 11/4885CHRM2 10/4885CHRM1 13/4885 |
| US-20060223860-A1 | e.g. 3-(4-{[6-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)-phenyl]ethyl}amino)-hexyl]oxy}butyl)benzenesulfonamide; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity; bronchodilator agent; pulmonary disorders: chronic obstructive pulmonary dusease; asthma | ADRB2, ADRA2B, ADRB1 | CHRM3 21/4885CHRM2 16/4885CHRM1 29/4885 |
| US-20060223859-A1 | Chronic obstructive pulmonary dusease; asthma | ADRB2, ADRA2B, ADRB1 | CHRM3 17/4885CHRM2 12/4885CHRM1 20/4885 |
| US-20040209915-A1 | substituted with an N- (p-hydroxy-alpha-hydroxybenzylaminoalkylpiperidinyloxy- (or -amino-)carbonylamino group; useful for identifying compounds having both beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity | ADRB1, ADRB2, ADRA2B | CHRM3 18/4885CHRM2 17/4885CHRM1 20/4885 |
| US-20130150404-A1 | BIPHENYL DERIVATIVES | ADRB1, ADRB2, ADRB3 | CHRM3 11/4885CHRM2 10/4885CHRM1 13/4885 |
| US-20040167167-A1 | Chronic obstructive pulmonary dusease; asthma | ADRB1, ADRB2, ADRA2B | CHRM3 17/4885CHRM2 16/4885CHRM1 20/4885 |
| US-20110034694-A1 | COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | ADRA2B, ADRB2, ADRB1 | CHRM3 12/4885CHRM2 6/4885CHRM1 11/4885 |
| US-20050113417-A1 | Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity | ADRA2B, ADRB2, ADRB1 | CHRM3 12/4885CHRM2 6/4885CHRM1 11/4885 |
| US-20060229334-A1 | Biphenyl-2-ylcarbamic acid 1-[2-(2-chloro-4-{[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]methyl}-5-methoxyphenyl-carbamoyl)ethyl]piperidin-4-yl ester; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist; bronchodilator agent; pulmonary disorders, asthma | ADRB2, ADRA2B, ADRB1 | CHRM3 22/4885CHRM2 9/4885CHRM1 18/4885 |
| US-20110312994-A1 | BIPHENYL DERIVATIVES | ADRB1, ADRB2, ADRB3 | CHRM3 11/4885CHRM2 10/4885CHRM1 13/4885 |
| US-20040209860-A1 | compounds having a (biphenyl-2-yl)oxycarbonylamino- or (biphenyl-2-yl)aminocarbonylamino-substituted (2-7C)azacycloalkyl or (5-10C)azabicycloalkyl group; and a 2-(4-hydroxyphenyl)-2-hydroxyethylamino group; treating asthma or chronic obstructive pulmonary disease; providing bronchodilation | ADRA2C, ADRB2, AHR | CHRM3 9/4885CHRM2 34/4885CHRM1 86/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.