SCHEMBL963633

SCHEMBL963633

CC(C)(C)OC(=O)NCCCCCNCC(O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.42
ADRB1 P08588 5/20 0.42
ADRB3 P13945 1/20 0.42
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
NPSR1 Q6W5P4 2/20 0.37
PAX8 Q06710 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SYK P43405 1/20 0.36

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
SCHEMBL963630 1.00 ADRB2 (0.42) ADRB2ADRB1ADRB3MAPTL3MBTL1
SCHEMBL963632 1.00 ADRB2 (0.42) ADRB2ADRB1ADRB3MAPTL3MBTL1
SCHEMBL5822288 0.96 ADRB2 (0.40) ADRB2ADRB1ADRB3MAPTL3MBTL1
SCHEMBL5763148 0.93 ADRB2 (0.42) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL5763122 0.93 ADRB2 (0.42) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL17633021 0.93 ADRB2 (0.42) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL28423946 0.91 ADRB2 (0.42) ADRB2ADRB1ADRB3MAPTDRD2
SCHEMBL28423949 0.91 ADRB2 (0.42) ADRB2ADRB1ADRB3MAPTDRD2
SCHEMBL28423974 0.90 ADRB2 (0.42) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL28423971 0.90 ADRB2 (0.42) ADRB2ADRB1DRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3012254-B1 BIPHENYL DERIVATIVE AND ITS USE FOR TREATING PULMONARY DISORDERS THERAVANCE RESPIRATORY CO LLC (US) 2017-05-17 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-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-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-8008278-B2 Diarylmethyl and related compounds THERAVANCE, INC. (US) 2011-08-30 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-20060223858-A1 Biphenyl derivatives 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
EP-1594860-A2 LIBRARY OF BIPHENYL DERIVATIVES USEFUL FOR IDENTIFYING COMPOUNDS HAVING BOTH BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY Theravance Inc (US) 2005-11-16 EP disclosed
US-20040242622-A1 Azabicycloalkane compounds THERAVANCE BIOPHARMA R&D IP, LLC 2004-12-02 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
WO-2004074812-A2 LIBRARY OF BIPHENYL DERIVATIVES USEFUL FOR IDENTIFYING COMPOUNDS HAVING BOTH BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC (US) 2004-09-02 WO 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-20140235864-A1 BIPHENYL DERIVATIVES ADRB1, ADRB2, ADRB3 ADRB2 2/4885ADRB1 1/4885ADRB3 3/4885
US-20060223858-A1 Biphenyl derivatives ADRB1, ADRB2, ADRB3 ADRB2 2/4885ADRB1 1/4885ADRB3 3/4885
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 1/4885ADRB1 3/4885ADRB3 4/4885
US-20060223859-A1 Chronic obstructive pulmonary dusease; asthma ADRB2, ADRA2B, ADRB1 ADRB2 1/4885ADRB1 3/4885ADRB3 5/4885
US-20040242622-A1 Azabicycloalkane compounds ADRB1, ADRB2, ADRA1B ADRB2 2/4885ADRB1 1/4885ADRB3 7/4885
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 2/4885ADRB1 1/4885ADRB3 5/4885
US-20130150404-A1 BIPHENYL DERIVATIVES ADRB1, ADRB2, ADRB3 ADRB2 2/4885ADRB1 1/4885ADRB3 3/4885
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma ADRB1, ADRB2, ADRA2B ADRB2 2/4885ADRB1 1/4885ADRB3 5/4885
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 1/4885ADRB1 3/4885ADRB3 7/4885
US-20110312994-A1 BIPHENYL DERIVATIVES ADRB1, ADRB2, ADRB3 ADRB2 2/4885ADRB1 1/4885ADRB3 3/4885
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 2/4885ADRB1 7/4885ADRB3 4/4885

“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.