SCHEMBL5226482

SCHEMBL5226482

COC(=O)c1ccc2occ(C)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.58
GSK3B P49841 1/20 0.51
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
CHRNA7 P36544 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
XDH P47989 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 4/20 0.44

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
SCHEMBL31393502 0.87 ALDH1A1 (0.51) NQO2GSK3BMTNR1AMTNR1BCA12
SCHEMBL5224729 0.87 ALDH1A1 (0.51) NQO2GSK3BMTNR1AMTNR1BCA12
SCHEMBL30122481 0.86 ALDH1A1 (0.50) NQO2GSK3BMTNR1AMTNR1BCA12
SCHEMBL19740390 0.83 NQO2 (0.56) NQO2GSK3BMTNR1AMTNR1BCHRNA7
SCHEMBL3494354 0.83 NQO2 (0.56) NQO2GSK3BMTNR1AMTNR1BCA12
SCHEMBL5231032 0.81 CHRNA7 (0.49) GSK3BCHRNA7ALDH1A1KDM4EHPGD
SCHEMBL5228133 0.80 NQO2 (0.54) NQO2GSK3BMTNR1AMTNR1BCA12
SCHEMBL6479442 0.79 NQO2 (0.53) NQO2GSK3BMTNR1AMTNR1BCA12
SCHEMBL17858575 0.79 NQO2 (0.53) NQO2GSK3BMTNR1AMTNR1BCA12
SCHEMBL5226029 0.78 NQO2 (0.52) NQO2GSK3BMTNR1AMTNR1BCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
EP-3623371-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS Axovant Sciences GmbH (CH) 2020-03-18 EP disclosed
EP-3233087-B1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (DE) 2019-10-02 EP disclosed
EP-3233087-B1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (DE) 2019-10-02 EP disclosed
US-10183938-B2 Geminal substituted quinuclidine amide compounds as agonists of α-7 nicotonic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-01-22 US disclosed
US-10183938-B2 Geminal substituted quinuclidine amide compounds as agonists of α-7 nicotonic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-01-22 US disclosed
CN-107383024-B The class compound of fused tricyclic containing imidazoles and its application 广州必贝特医药技术有限公司 2018-06-08 CN disclosed
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (CH) 2017-12-28 US disclosed
CN-107383024-A The class compound of fused tricyclic containing imidazoles and its application 广州必贝特医药技术有限公司 2017-11-24 CN disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
EP-1425286-B1 SUBSTITUTED 7-AZA-[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN CO LLC (US) 2007-02-28 EP disclosed
US-6894042-B2 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY (US) 2005-05-17 US disclosed
EP-1476448-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US disclosed
EP-1425286-A1 SUBSTITUTED 7-AZA[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2004-06-09 EP disclosed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US disclosed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-06-05 US disclosed
WO-2003022856-A1 SUBSTITUTED 7-AZA[2.2.1] BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2003-03-20 WO 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 (6 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-20030232853-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 NQO2 259/4885GSK3B 1626/4885MTNR1A 1973/4885
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease CHRNA7, CHRNA1, CHRNA6 NQO2 441/4885GSK3B 1924/4885MTNR1A 229/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 NQO2 259/4885GSK3B 1626/4885MTNR1A 1973/4885
US-10183938-B2 Geminal substituted quinuclidine amide compounds as agonists of α-7 nicotonic acetylcholine receptors CHRNA7, CHRNA6, CHRNA5 NQO2 351/4885GSK3B 1666/4885MTNR1A 667/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 NQO2 1121/4885GSK3B 1038/4885MTNR1A 3027/4885
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA6, CHRNA5 NQO2 311/4885GSK3B 1855/4885MTNR1A 640/4885

“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.