SCHEMBL3540903

SCHEMBL3540903

CCOc1cc(Cl)ccc1-c1nc(C(=O)N2CCCC3CCCC=C32)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 5/20 0.41
SCN9A Q15858 1/20 0.37
HTR2C P28335 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTGER1 P34995 1/20 0.35
TRPV1 Q8NER1 3/20 0.34
HCRTR2 O43614 3/20 0.34
HCRTR1 O43613 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CLK1 P49759 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
IL1R1 P14778 1/20 0.33
PRKCA P17252 1/20 0.33
TNFRSF1A P19438 1/20 0.33
PRKCH P24723 1/20 0.33

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
SCHEMBL3541503 0.91 RAB9A (0.38) PROKR1HTR2CNPC1RAB9AKDM4E
SCHEMBL3541313 0.86 PROKR1 (0.38) PROKR1HTR2CHCRTR2HCRTR1
SCHEMBL3537435 0.86 PRKD3 (0.44) HTR2CNPC1RAB9AKDM4EKMT2A
SCHEMBL3538068 0.85 CPT1A (0.41) HTR2CNPC1RAB9APTGER1KDM4E
SCHEMBL3536786 0.84 GFER (0.38) PROKR1HTR2CKMT2A
SCHEMBL3543877 0.84 HTR2C (0.40) HTR2CPRKD3PRKCGPRKCBIL1R1
SCHEMBL3542690 0.81 RAB9A (0.45) SCN9AHTR2CNPC1RAB9AKDM4E
SCHEMBL2315363 0.81 PROKR1 (0.41) PROKR1HTR2CRAB9ATRPV1HCRTR2
SCHEMBL3538082 0.79 SHMT2 (0.43) PROKR1HTR2CNPC1RAB9A
SCHEMBL3541008 0.79 TLR7 (0.45) HTR2CNPC1RAB9AHCRTR2HCRTR1

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 PROKR1 1341/4885SCN9A 3223/4885HTR2C 422/4885

“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.