SCHEMBL3540890

SCHEMBL3540890

COc1cccc(Cl)c1-c1nc(C(=O)N2CCCC3CCCC=C32)cs1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.41
EIF4E P06730 1/20 0.36
POLB P06746 1/20 0.35
SCN9A Q15858 5/20 0.35
KCNH2 Q12809 1/20 0.35
TRPC3 Q13507 1/20 0.34
TRPC6 Q9Y210 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL3540062 0.90 PIM1 (0.40) PIM1
SCHEMBL3538082 0.86 SHMT2 (0.43) HTR2CPOLBTRPC3TRPC6PROKR1
SCHEMBL3540873 0.86 ALDH1A1 (0.47) HTR2CSCN9AKCNH2
SCHEMBL3542155 0.85 PIM1 (0.42) HTR2CPROKR1PIM1
SCHEMBL3542242 0.84 HTR2C (0.48) HTR2CTRPC3TRPC6
SCHEMBL3536849 0.83 HTR2C (0.60) HTR2CTRPC3TRPC6
SCHEMBL3541782 0.83 HTR2C (0.53) HTR2CTRPC3TRPC6
SCHEMBL3538068 0.83 CPT1A (0.41) HTR2CTRPC3TRPC6
SCHEMBL3541503 0.83 RAB9A (0.38) HTR2CTRPC3TRPC6PROKR1
SCHEMBL3544618 0.81 CCNT1 (0.40)

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 422/4885EIF4E 3300/4885POLB 2546/4885

“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.