SCHEMBL3542013

SCHEMBL3542013

CC(=O)c1ccccc1-c1nc(C(=O)N2CCC3CCCCC3C2)cs1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.48
HCRTR2 O43614 7/20 0.48
TRPC3 Q13507 1/20 0.48
TRPC6 Q9Y210 1/20 0.48
HTR2C P28335 8/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 1/20 0.45
GHSR Q92847 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL3542016 1.00 HCRTR1 (0.48) HCRTR1HCRTR2TRPC3TRPC6HTR2C
SCHEMBL5665652 0.95 HTR2C (0.48) HCRTR1HCRTR2TRPC3TRPC6HTR2C
SCHEMBL5661659 0.85 SCD5 (0.52) HCRTR1HCRTR2TRPC3TRPC6HTR2C
SCHEMBL3539681 0.84 HTR3E (0.55) TRPC3TRPC6HTR2C
SCHEMBL4975025 0.84 HTR3E (0.55) TRPC3TRPC6HTR2C
SCHEMBL13548756 0.82 HTR2C (0.47) HCRTR1HCRTR2TRPC3TRPC6HTR2C
SCHEMBL4971650 0.82 HTR2C (0.47) HCRTR1HCRTR2TRPC3TRPC6HTR2C
SCHEMBL5661013 0.82 HTR2C (0.63) HTR2CNPC1RAB9AKMT2AHRH3
SCHEMBL5661113 0.82 HTR2C (0.63) HTR2CNPC1RAB9AKMT2AHRH3
SCHEMBL3536540 0.82 CNR1 (0.45) HCRTR1HCRTR2TRPC3TRPC6HTR2C

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 2 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 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 HCRTR1 2820/4885HCRTR2 1668/4885TRPC3 2595/4885

“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.