SCHEMBL3540251

SCHEMBL3540251

CC1CC(=O)C2CCCC=C2N1C(=O)c1csc(-c2cccc(Cl)c2Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.52
TLR7 Q9NYK1 1/20 0.43
PANK3 Q9H999 1/20 0.40
TRPC3 Q13507 1/20 0.34
TRPC6 Q9Y210 1/20 0.34
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
HSD11B1 P28845 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
EIF4E P06730 1/20 0.32

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
SCHEMBL3536849 0.78 HTR2C (0.60) HTR2CTLR7PANK3TRPC3TRPC6
SCHEMBL3540247 0.76 HTR2C (0.55) HTR2CTLR7PANK3TRPC3TRPC6
SCHEMBL4971322 0.76 HTR2C (0.65) HTR2CTLR7PANK3TRPC3TRPC6
SCHEMBL3539664 0.76 HTR2C (0.57) HTR2CTLR7PANK3TRPC3TRPC6
SCHEMBL4973419 0.75 HTR2C (0.67) HTR2CTLR7PANK3TRPC3TRPC6
SCHEMBL4973954 0.74 HTR2C (0.69) HTR2CTLR7PANK3TRPC3TRPC6
SCHEMBL3543133 0.73 HTR2C (0.66) HTR2CTLR7PANK3TRPC3TRPC6
SCHEMBL3537833 0.73 HTR2C (0.66) HTR2CTLR7PANK3TRPC3TRPC6
SCHEMBL3542242 0.72 HTR2C (0.48) HTR2CTLR7PANK3TRPC3TRPC6
SCHEMBL4972321 0.71 HTR2C (0.69) HTR2CTLR7PANK3TRPC3TRPC6

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 422/4885TLR7 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.