SCHEMBL3543602

SCHEMBL3543602

CSc1ccccc1-c1nc(C(=O)N2CCCC3CCCCC32)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
HTR2C P28335 5/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPC3 Q13507 4/20 0.39
TRPC6 Q9Y210 4/20 0.39
ACKR3 P25106 1/20 0.39
HSD11B1 P28845 5/20 0.39
HSD17B1 P14061 1/20 0.39
TRPA1 O75762 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CHRNA7 P36544 1/20 0.37
HTR3A P46098 1/20 0.37

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
SCHEMBL3545070 0.86 HTR2C (0.47) CNR1CNR2HTR2CNPC1RAB9A
SCHEMBL3536540 0.84 CNR1 (0.45) CNR1CNR2HTR2CNPC1RAB9A
SCHEMBL3541780 0.84 HTR2C (0.57) CNR1CNR2HTR2CNPC1RAB9A
SCHEMBL3538914 0.84 CNR1 (0.51) CNR1CNR2HTR2CNPC1RAB9A
SCHEMBL3538079 0.83 SCD5 (0.47) CNR1CNR2HTR2CNPC1RAB9A
SCHEMBL3535646 0.82 CNR1 (0.58) CNR1CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL14463761 0.82 CNR1 (0.47) CNR1CNR2HTR2CNPC1RAB9A
SCHEMBL3540093 0.82 CNR1 (0.45) CNR1CNR2HTR2CNPC1RAB9A
SCHEMBL27730532 0.82 CNR1 (0.42) CNR1CNR2HTR2CNPC1RAB9A
SCHEMBL27730529 0.82 CNR1 (0.43) CNR1CNR2HTR2CNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed
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 disclosed
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 disclosed
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 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 505/4885HTR2C 422/4885

“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.