SCHEMBL3542012

SCHEMBL3542012

CC(=O)c1ccccc1-c1nc(C(=O)N2CCC3CCCC=C3C2)cs1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.43
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GHSR Q92847 1/20 0.37
TRPC3 Q13507 4/20 0.37
TRPC6 Q9Y210 4/20 0.37
SCD5 Q86SK9 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
PIN1 Q13526 1/20 0.35

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
SCHEMBL3539684 0.85 PTGDR2 (0.48) HTR2CTRPC3TRPC6SCD5PTGDR2
SCHEMBL3537833 0.83 HTR2C (0.66) HTR2CTRPC3TRPC6SCD5
SCHEMBL3543133 0.83 HTR2C (0.66) HTR2CTRPC3TRPC6SCD5
SCHEMBL3545036 0.82 ALDH1A1 (0.46) HTR2CTRPC3TRPC6
SCHEMBL5661659 0.81 SCD5 (0.52) HTR2CHCRTR1HCRTR2TRPC3TRPC6
SCHEMBL3536539 0.81 HRH3 (0.39) HTR2CHCRTR1HCRTR2HRH3GHSR
SCHEMBL5661013 0.78 HTR2C (0.63) HTR2CHRH3
SCHEMBL5661113 0.78 HTR2C (0.63) HTR2CHRH3
SCHEMBL3542013 0.77 HCRTR1 (0.48) HTR2CHCRTR1HCRTR2HRH3GHSR
SCHEMBL3542016 0.77 HCRTR1 (0.48) HTR2CHCRTR1HCRTR2HRH3GHSR

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 HTR2C 422/4885HCRTR1 2820/4885HCRTR2 1668/4885

“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.