SCHEMBL3566173

SCHEMBL3566173

COC(=O)c1cc(Cl)c(N)cc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.68
ABL1 P00519 1/20 0.53
KDM4E B2RXH2 4/20 0.51
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
PDK2 Q15119 1/20 0.49
PDK4 Q16654 1/20 0.49
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
GLA P06280 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46

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
Hydrochloric Acid SCHEMBL7411425 0.98 GAA (0.66) GAAABL1KDM4ECA12CA1
SCHEMBL19328721 0.85 GAA (0.72) GAAABL1KDM4EALDH1A1HSD17B10
SCHEMBL2701033 0.85 GAA (0.61) GAAABL1KDM4ECA12CA1
SCHEMBL7415528 0.85 CA12 (0.55) GAAABL1KDM4ECA12CA1
SCHEMBL2726967 0.83 CA12 (0.53) GAAABL1KDM4ECA12CA1
SCHEMBL30463099 0.83 CA12 (0.53) GAAABL1KDM4ECA12CA1
SCHEMBL1884944 0.83 GAA (0.64) GAAABL1KDM4EALDH1A1HSD17B10
SCHEMBL11922587 0.82 ABL1 (0.57) GAAABL1KDM4ECA12CA1
SCHEMBL15797246 0.82 GAA (0.68) GAAABL1KDM4EALDH1A1HSD17B10
SCHEMBL2897626 0.81 GAA (0.62) GAAABL1KDM4EALDH1A1HSD17B10

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858795-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2010-12-28 US disclosed
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO disclosed
US-20090048299-A1 or anticholinergic agents such as biphenyl-2-ylcarbamic acid 1-[2-({6-[(4-hydroxybenzylamino)methyl]pyridin-2-ylmethyl}carbamoyl)ethyl]piperidin-4-yl ester, used for the treatment of respiratory system disorders such as chronic obstructive pulmonary disease and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2009-02-19 US disclosed
US-7456199-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
EP-1723110-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2006-11-22 EP disclosed
WO-2005087735-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
US-20050203139-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US disclosed
US-5244907-A Treatment of serotonin imbalance, increase in gastric motility, antiemetics, antiarrhythmia agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-09-14 US disclosed
US-5236931-A Treating anxiety, psychosis, cognitive dysfunction, migrane, cluster headache, trigeminal neuralgia emesis and impaired gastric motility A. H. ROBINS COMPANY, INCORPORATED (US) 1993-08-17 US disclosed
US-5190953-A 1-azabicyclo(3.2.1.)octan-5-ylmethyl- or 1-azabicyclo(3.3.1) nonan-5-ylmethyl derivatives of carboxamides, thiocarboxamides or esters, thioesters A. H. ROBINS COMPANY, INCORPORATED (US) 1993-03-02 US disclosed
US-5137895-A Antiemetic, anxiolytic, gastric emptying and serotonin modulating activity A. H. ROBINS COMPANY, INCORPORATED (US) 1992-08-11 US disclosed
US-5063230-A Substituted saturated and unsaturated indole quinoline and benzazepine carboxamides and their use as pharmacological agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-11-05 US disclosed
WO-1990006113-A1 SUBSTITUTED SATURATED AND UNSATURATED INDOLE QUINOLINE AND BENZAZEPINE CARBOXAMIDES AND THEIR USE AS PHARMACOLOGICAL AGENTS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1990-06-14 WO disclosed
US-4920219-A Substituted saturated and unsaturated indole quinoline and benzazepine carboxamides and their use as pharmacological agents RORER PHARMACEUTICAL CORP. (US) 1990-04-24 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 (2 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-20090048299-A1 or anticholinergic agents such as biphenyl-2-ylcarbamic acid 1-[2-({6-[(4-hydroxybenzylamino)methyl]pyridin-2-ylmethyl}carbamoyl)ethyl]piperidin-4-yl ester, used for the treatment of respiratory system disorders such as chronic obstructive pulmonary disease and asthma CHRM1, CHRM2, CHRM3 GAA 3889/4885ABL1 3403/4885KDM4E 613/4885
US-20050203139-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 GAA 4655/4885ABL1 3791/4885KDM4E 2513/4885

“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.