SCHEMBL3543606

SCHEMBL3543606

CSc1ccccc1-c1nc(C(=O)N2CCCC3CCCC=C32)cs1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.38
ACKR3 P25106 1/20 0.35
KMT2A Q03164 1/20 0.33
AXL P30530 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ACHE P22303 2/20 0.33
GHSR Q92847 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.32
HTR2B P41595 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
SCHEMBL3545073 0.87 HTR2C (0.44) HTR2CACKR3KMT2AAXLCNR1
SCHEMBL3536539 0.85 HRH3 (0.39) HTR2CACKR3AXLCNR1CNR2
SCHEMBL3541782 0.85 HTR2C (0.53) HTR2CNPC1RAB9A
SCHEMBL3538917 0.85 ACKR3 (0.41) HTR2CACKR3CNR1CNR2
SCHEMBL3538082 0.85 SHMT2 (0.43) HTR2CNPC1RAB9A
SCHEMBL3535648 0.84 ACKR3 (0.47) ACKR3CNR1CNR2
SCHEMBL27730544 0.83 HTR2C (0.39) HTR2CACKR3CNR1CNR2HTR2B
SCHEMBL3540461 0.83 HTR2C (0.38) HTR2CACKR3KMT2ANPC1RAB9A
SCHEMBL3540097 0.83 HTR2C (0.45) HTR2CACKR3KMT2AHTR2B
SCHEMBL3542242 0.83 HTR2C (0.48) HTR2C

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 422/4885ACKR3 3834/4885KMT2A 1489/4885

“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.