SCHEMBL4987440

SCHEMBL4987440

O=C(c1csc(-c2cccc(Cl)c2Cl)n1)N1CCCC[C@H]1c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.59
TLR7 Q9NYK1 1/20 0.54
GPBAR1 Q8TDU6 1/20 0.52
CPT1A P50416 2/20 0.45
PDE7B Q9NP56 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TRPC3 Q13507 1/20 0.42
TRPC6 Q9Y210 1/20 0.42
GRM5 P41594 1/20 0.42
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
SCD5 Q86SK9 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41

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
SCHEMBL4977346 1.00 HTR2C (0.59) HTR2CTLR7GPBAR1CPT1APDE7B
SCHEMBL4982379 0.84 CPT1A (0.54) TLR7CPT1ANPC1RAB9ATRPC3
SCHEMBL3544402 0.84 CPT1A (0.54) TLR7CPT1ANPC1RAB9ATRPC3
SCHEMBL5662926 0.84 CPT1A (0.46) HTR2CGPBAR1CPT1ANPC1RAB9A
SCHEMBL5661450 0.84 CPT1A (0.46) HTR2CGPBAR1CPT1ANPC1RAB9A
SCHEMBL4973954 0.82 HTR2C (0.69) HTR2CTLR7NPC1RAB9ATRPC3
SCHEMBL3536845 0.79 HTR2C (0.64) HTR2CTLR7TRPC3TRPC6CNR1
SCHEMBL4973419 0.79 HTR2C (0.67) HTR2CTLR7NPC1RAB9ATRPC3
SCHEMBL4969597 0.79 HTR2C (0.64) HTR2CTLR7NPC1RAB9ATRPC3
SCHEMBL4974424 0.77 HTR2C (0.61) HTR2CTLR7NPC1RAB9ATRPC3

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 7 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
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

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 2132/4885GPBAR1 602/4885

“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.