SCHEMBL2795435

SCHEMBL2795435

COc1ccc(C(O)(C(=O)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.55
CYP2D6 P10635 1/20 0.55
HIF1A Q16665 1/20 0.55
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.49
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
APEX1 P27695 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PLK1 P53350 1/20 0.47
CA12 O43570 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
Bromomethane SCHEMBL3169542 0.96 CYP2C9 (0.52) CYP2C9CYP2D6HIF1ACA1CA2
SCHEMBL2793473 0.94 CYP2C9 (0.58) CYP2C9CYP2D6HIF1ACA1CA2
SCHEMBL2327512 0.83 CA1 (0.52) CA1CA2MAPTCES2CES1
SCHEMBL5144776 0.83 CA1 (0.52) CA1CA2MAPTCES2CES1
SCHEMBL4232572 0.83 CA1 (0.52) CA1CA2MAPTCES2CES1
SCHEMBL28711201 0.82 KMT2A (0.60) CA1CA2MEN1KMT2ACES2
SCHEMBL3180051 0.82 MAPT (0.51) CA1CA2MEN1KMT2AMAPT
SCHEMBL6404526 0.82 MAPT (0.51) CA1CA2MEN1KMT2AMAPT
SCHEMBL1371089 0.82 MAPT (0.51) CA1CA2MEN1KMT2AMAPT
SCHEMBL1507665 0.81 CA1 (0.54) CA1CA2MAPTCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084463-B2 Quinuclidine derivatives and their use as muscarinic M3 receptor antagonists NOVARTIS AG (CH) 2011-12-27 US disclosed
EP-1811999-B1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2010-09-15 EP disclosed
EP-2206499-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2010-07-14 EP disclosed
US-20100168132-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS PRESS NEIL JOHN 2010-07-01 US disclosed
US-7723356-B2 Quinuclidine derivatives and their use as muscarinic m3 receptor antagonists NOVARTIS AG (CH) 2010-05-25 US disclosed
US-7652138-B2 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-01-26 US disclosed
US-20090048281-A1 (R)-3-(2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1-(isoxazol-3-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2] octane, useful for treating inflammatory or obstructive airways diseases NOVARTIS AG (CH) 2009-02-19 US disclosed
EP-1811999-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2007-08-01 EP disclosed
WO-2006048225-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2006-05-11 WO disclosed
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US disclosed
US-6852728-B2 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-08 US disclosed
EP-0659737-B1 Catecholamine surrogates useful as beta 3 agonists BRISTOL MYERS SQUIBB CO (US) 2003-03-26 EP disclosed
US-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-08-29 US disclosed
US-6300499-B1 α1-adrenergic receptor antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-10-09 US disclosed
US-5776983-A ANTIDIABETIC AGENTS, OBESITY, GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-07 US disclosed
EP-0659737-A2 Catecholamine surrogates useful as B3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-28 EP 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 (4 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-20090048281-A1 (R)-3-(2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1-(isoxazol-3-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2] octane, useful for treating inflammatory or obstructive airways diseases CHRM3, CHRM2, CHRM1 CYP2C9 1533/4885CYP2D6 2336/4885HIF1A 1651/4885
US-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them CHRM1, CHRM3, CHRM2 CYP2C9 368/4885CYP2D6 162/4885HIF1A 3172/4885
US-20100168132-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 CYP2C9 1459/4885CYP2D6 1693/4885HIF1A 4404/4885
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them CHRM1, CHRM3, CHRM2 CYP2C9 162/4885CYP2D6 147/4885HIF1A 3108/4885

“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.