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SCHEMBL5665652

SCHEMBL5665652

CC(=O)c1ccccc1-c1nc(C(=O)N2CCCC(C3CCCCC3)C2)cs1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 8/20 0.48
▸ TRPC3 Q13507 1/20 0.45
▸ TRPC6 Q9Y210 1/20 0.45
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ GHSR Q92847 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL3542016 0.95 HCRTR1 (0.48) HTR2CTRPC3TRPC6HCRTR1HCRTR2
SCHEMBL3542013 0.95 HCRTR1 (0.48) HTR2CTRPC3TRPC6HCRTR1HCRTR2
SCHEMBL5661013 0.86 HTR2C (0.63) HTR2CHRH3POLBKMT2AMEN1
SCHEMBL5661113 0.86 HTR2C (0.63) HTR2CHRH3POLBKMT2AMEN1
SCHEMBL3536540 0.83 CNR1 (0.45) HTR2CTRPC3TRPC6HCRTR1HCRTR2
SCHEMBL27751153 0.83 HTR2C (0.46) HTR2CTRPC3TRPC6GHSRKMT2A
SCHEMBL5661659 0.82 SCD5 (0.52) HTR2CTRPC3TRPC6HCRTR1HCRTR2
SCHEMBL5662439 0.82 HTR2C (0.43) HTR2CHCRTR1HCRTR2
SCHEMBL27751154 0.82 HTR2C (0.45) HTR2CTRPC3TRPC6GHSRKMT2A
SCHEMBL4971650 0.82 HTR2C (0.47) HTR2CTRPC3TRPC6HCRTR1HCRTR2

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 6 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-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 — — US disclosed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 — — WO 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
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
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 422/4885TRPC3 2595/4885TRPC6 1554/4885

“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.