SCHEMBL3541503

SCHEMBL3541503

COc1cc(Cl)ccc1-c1nc(C(=O)N2CCCC3CCCC=C32)cs1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HTR2C P28335 2/20 0.38
ROCK2 O75116 1/20 0.36
CPT1A P50416 1/20 0.36
KMT2A Q03164 1/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34
ALDH1A1 P00352 3/20 0.34
DRD2 P14416 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TRPC3 Q13507 1/20 0.34
TRPC6 Q9Y210 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
CNR1 P21554 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 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
SCHEMBL3538068 0.93 CPT1A (0.41) RAB9ANPC1HTR2CCPT1AKMT2A
SCHEMBL3540903 0.91 PROKR1 (0.41) RAB9ANPC1HTR2CKMT2AKDM4E
SCHEMBL3541313 0.88 PROKR1 (0.38) HTR2CTRPC3TRPC6PROKR1
SCHEMBL3537435 0.88 PRKD3 (0.44) RAB9ANPC1HTR2CKMT2AKDM4E
SCHEMBL3538082 0.87 SHMT2 (0.43) RAB9ANPC1HTR2CALDH1A1TRPC3
SCHEMBL3536786 0.86 GFER (0.38) HTR2CKMT2ATRPC3TRPC6PROKR1
SCHEMBL3543877 0.86 HTR2C (0.40) HTR2CTRPC3TRPC6
SCHEMBL3537875 0.85 ALDH1A1 (0.37) HTR2CKMT2AALDH1A1KDM4ETRPC3
SCHEMBL3545577 0.85 ALDH1A1 (0.43) NPC1KMT2AALDH1A1KDM4ETRPC3
SCHEMBL3544618 0.84 CCNT1 (0.40) ALDH1A1

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 RAB9A 3912/4885NPC1 891/4885HTR2C 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.