SCHEMBL384382

SCHEMBL384382

COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.82
CHRM3 P20309 20/20 0.82
CHRM2 P08172 1/20 0.82

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL3431094 1.00 ADRB2 (0.82) ADRB2CHRM3CHRM2
SCHEMBL384381 1.00 ADRB2 (0.82) ADRB2CHRM3CHRM2
SCHEMBL828199 0.94 ADRB2 (0.73) ADRB2CHRM3CHRM2
SCHEMBL828200 0.94 ADRB2 (0.73) ADRB2CHRM3CHRM2
SCHEMBL18238787 0.94 ADRB2 (0.73) ADRB2CHRM3CHRM2
SCHEMBL28171874 0.94 ADRB2 (0.73) ADRB2CHRM3CHRM2
SCHEMBL18239939 0.94 ADRB2 (0.73) ADRB2CHRM3CHRM2
SCHEMBL18239868 0.93 ADRB2 (0.71) ADRB2CHRM3CHRM2
SCHEMBL18239867 0.93 ADRB2 (0.71) ADRB2CHRM3CHRM2
SCHEMBL19172412 0.91 ADRB2 (0.69) ADRB2CHRM3CHRM2

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981872-B1 SUCCINIC ACID SALT OF BIPHENYL-2-YLCARBAMIC ACID 1-[2-(2-CHLORO-4-{[ (R)-2-HYDROXY-2- (8-HYDROXY-2-OXO-1, 2-DIHYDROQUINOLIN-5-YL) ETH YLAMINOIMETHYL]} -5-METHOXYPHENYLCARBAMOYL) ETHYL]PIPERIDIN-4-YL ESTER AND ITS USE FOR THE TREATMENT OF PULMONARY DISORDERS GLAXO GROUP LTD (GB) 2017-06-21 EP disclosed
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-8754223-B2 Crystalline form of a biphenyl compound THERAVANCE, INC. (US) 2014-06-17 US disclosed
US-8618131-B2 Biphenyl derivatives THERAVANCE, INC. (US) 2013-12-31 US disclosed
US-20130289281-A1 CRYSTALLINE FORM OF A BIPHENYL COMPOUND THERAVANCE, INC. (US) 2013-10-31 US disclosed
US-8476299-B2 Crystalline form of a biphenyl compound THERAVANCE, INC. (US) 2013-07-02 US disclosed
US-20130150404-A1 BIPHENYL DERIVATIVES THERAVANCE, INC. (US) 2013-06-13 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-20060223859-A1 Chronic obstructive pulmonary dusease; asthma THERAVANCE BIOPHARMA R&D IP, LLC 2006-10-05 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
WO-2006023454-A1 CRYSTALLINE FORM OF A BIPHENYL COMPOUND THERAVANCE, INC. (US) 2006-03-02 WO disclosed
US-20060035931-A1 Crystalline form of a biphenyl compound THERAVANCE, INC. 2006-02-16 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-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-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 (11 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060035931-A1 Crystalline form of a biphenyl compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ALK, PKD2 ADRB2 1162/4885CHRM3 1116/4885CHRM2 1039/4885
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 ADRB2 1/4885CHRM3 22/4885CHRM2 9/4885
US-20130289281-A1 CRYSTALLINE FORM OF A BIPHENYL COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ALK, PKD2 ADRB2 1162/4885CHRM3 1116/4885CHRM2 1039/4885
US-20140235864-A1 BIPHENYL DERIVATIVES ADRB1, ADRB2, ADRB3 ADRB2 2/4885CHRM3 11/4885CHRM2 10/4885
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 ADRB2 1/4885CHRM3 21/4885CHRM2 16/4885
US-20060223859-A1 Chronic obstructive pulmonary dusease; asthma ADRB2, ADRA2B, ADRB1 ADRB2 1/4885CHRM3 17/4885CHRM2 12/4885
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 ADRB2 2/4885CHRM3 18/4885CHRM2 17/4885
US-20130150404-A1 BIPHENYL DERIVATIVES ADRB1, ADRB2, ADRB3 ADRB2 2/4885CHRM3 11/4885CHRM2 10/4885
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma ADRB1, ADRB2, ADRA2B ADRB2 2/4885CHRM3 17/4885CHRM2 16/4885
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 ADRB2 1/4885CHRM3 22/4885CHRM2 9/4885
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 ADRB2 2/4885CHRM3 9/4885CHRM2 34/4885

“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.