SCHEMBL3545073

SCHEMBL3545073

Cc1ccccc1-c1nc(C(=O)N2CCCC3CCCC=C32)cs1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.44
HCRTR1 O43613 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACKR3 P25106 1/20 0.37
ACHE P22303 2/20 0.34
GFER P55789 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
AXL P30530 1/20 0.34
HTR2B P41595 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
SCHEMBL3540097 0.91 HTR2C (0.45) HTR2CHCRTR1MEN1KMT2AACKR3
SCHEMBL3536539 0.88 HRH3 (0.39) HTR2CHCRTR1ACKR3ACHECNR1
SCHEMBL3538917 0.88 ACKR3 (0.41) HTR2CACKR3CNR1CNR2
SCHEMBL3541782 0.88 HTR2C (0.53) HTR2C
SCHEMBL3538082 0.87 SHMT2 (0.43) HTR2C
SCHEMBL3542242 0.87 HTR2C (0.48) HTR2CHCRTR1
SCHEMBL3538953 0.87 HTR2C (0.45) HTR2CACKR3ACHEHTR2B
SCHEMBL3543606 0.87 HTR2C (0.38) HTR2CKMT2AACKR3ACHECNR1
SCHEMBL3535648 0.86 ACKR3 (0.47) ACKR3CNR1CNR2
SCHEMBL3541313 0.86 PROKR1 (0.38) HTR2CHCRTR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101370796-A Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE (CH) 2009-02-18 CN claimed
CN-101370796-B Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE 2012-10-10 CN disclosed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
CN-101370796-A Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE (CH) 2009-02-18 CN 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 422/4885HCRTR1 2820/4885MEN1 702/4885

“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.