SCHEMBL3539666

SCHEMBL3539666

Cc1ccccc1-c1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)cs1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.52
CNR2 P34972 9/20 0.51
FAAH O00519 3/20 0.51
PABPC1 P11940 1/20 0.46
EPHX2 P34913 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL3535574 0.86 CNR2 (0.49) CNR1CNR2FAAHPABPC1KDM4E
SCHEMBL4971551 0.84 FAAH (0.61) CNR1CNR2FAAHKDM4EALDH1A1
SCHEMBL3539455 0.84 FAAH (0.47) CNR1CNR2FAAHPABPC1EPHX2
SCHEMBL13548760 0.84 IRAK4 (0.38) CNR1CNR2FAAHHPGD
SCHEMBL3536770 0.82 TLR7 (0.57) CNR1CNR2FAAHPABPC1HTT
SCHEMBL3539497 0.79 THRB (0.52) CNR1CNR2FAAHEPHX2
SCHEMBL4982775 0.78 KDM4E (0.52) CNR1CNR2FAAHPABPC1KDM4E
SCHEMBL30634999 0.76 ACHE (0.51) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL5663848 0.74 HTR3E (0.47) CNR1CNR2EPHX2KDM4EALDH1A1
SCHEMBL3536997 0.72 ACHE (0.66) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US claimed
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP claimed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO claimed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 US claimed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 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 (1 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-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GOT2, PC, CYP11B2 CNR1 888/4885CNR2 505/4885FAAH 3160/4885

“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.