SCHEMBL3536845

SCHEMBL3536845

O=C(c1csc(-c2cccc(Cl)c2Cl)n1)N1CCCC2CCCCC21

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.64
TLR7 Q9NYK1 1/20 0.50
PANK3 Q9H999 1/20 0.47
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
HSD11B1 P28845 4/20 0.44
HSD17B1 P14061 1/20 0.39
TRPC3 Q13507 1/20 0.39
TRPC6 Q9Y210 1/20 0.39

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
SCHEMBL3541780 0.91 HTR2C (0.57) HTR2CTLR7CNR1CNR2HSD11B1
SCHEMBL3542240 0.91 HTR2C (0.52) HTR2CCNR1CNR2HSD11B1TRPC3
SCHEMBL4973419 0.87 HTR2C (0.67) HTR2CTLR7PANK3TRPC3TRPC6
SCHEMBL4973954 0.86 HTR2C (0.69) HTR2CTLR7PANK3TRPC3TRPC6
SCHEMBL3539661 0.85 HTR2C (0.61) HTR2CTLR7PANK3CNR1CNR2
SCHEMBL4971120 0.83 HTR2C (0.62) HTR2CTLR7PANK3CNR1CNR2
SCHEMBL3537433 0.83 PRKD3 (0.49) HTR2CTLR7CNR1CNR2HSD11B1
SCHEMBL3543872 0.83 HSD11B1 (0.47) HTR2CTLR7CNR1CNR2HSD11B1
SCHEMBL3545070 0.83 HTR2C (0.47) HTR2CCNR1CNR2HSD11B1HSD17B1
SCHEMBL3538914 0.83 CNR1 (0.51) HTR2CCNR1CNR2HSD11B1HSD17B1

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 HTR2C 422/4885TLR7 2132/4885PANK3 1875/4885

“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.