SCHEMBL3540100

SCHEMBL3540100

Cc1cccc(-c2nc(C(=O)N3CCCC4CCCCC43)cs2)c1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.47
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
TRPC3 Q13507 4/20 0.40
TRPC6 Q9Y210 4/20 0.40
TRPA1 O75762 1/20 0.40
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
HCRTR1 O43613 1/20 0.39
HSD11B1 P28845 2/20 0.39
HSD17B1 P14061 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACKR3 P25106 1/20 0.37

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
SCHEMBL3545070 0.90 HTR2C (0.47) HTR2CCNR2CNR1TRPC3TRPC6
SCHEMBL3538958 0.88 HTR2C (0.47) HTR2CCNR2CNR1TRPC3TRPC6
SCHEMBL3542240 0.85 HTR2C (0.52) HTR2CCNR2CNR1TRPC3TRPC6
SCHEMBL3536845 0.82 HTR2C (0.64) HTR2CCNR2CNR1TRPC3TRPC6
SCHEMBL3536540 0.82 CNR1 (0.45) HTR2CCNR2CNR1TRPC3TRPC6
SCHEMBL3541780 0.82 HTR2C (0.57) HTR2CCNR2CNR1HSD11B1HSD17B1
SCHEMBL3538914 0.82 CNR1 (0.51) HTR2CCNR2CNR1TRPC3TRPC6
SCHEMBL3538079 0.81 SCD5 (0.47) HTR2CCNR2CNR1TRPC3TRPC6
SCHEMBL3543602 0.81 CNR1 (0.44) HTR2CCNR2CNR1TRPC3TRPC6
SCHEMBL3540868 0.81 KDM4E (0.50) HTR2CCNR2CNR1HCRTR1

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 422/4885CNR2 505/4885CNR1 888/4885

“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.