SCHEMBL3536770

SCHEMBL3536770

O=C(NC12CC3CC(CC(C3)C1)C2)c1csc(-c2cccc(Cl)c2Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.57
PANK3 Q9H999 1/20 0.53
HTR2C P28335 5/20 0.52
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
FAAH O00519 3/20 0.45
CNR2 P34972 2/20 0.44
PABPC1 P11940 1/20 0.44
CNR1 P21554 2/20 0.43

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
SCHEMBL14463677 0.88 TLR7 (0.50) TLR7PANK3HTR2CNPC1LMNA
SCHEMBL3539666 0.82 CNR1 (0.52) HTTNPSR1FAAHCNR2PABPC1
SCHEMBL4971551 0.80 FAAH (0.61) TLR7LMNAGAAHTTSMN1; SMN2
SCHEMBL3539455 0.80 FAAH (0.47) HTTNPSR1FAAHCNR2PABPC1
SCHEMBL3536765 0.80 TLR7 (0.57) TLR7PANK3HTR2CNPC1LMNA
SCHEMBL3535574 0.80 CNR2 (0.49) HTTNPSR1FAAHCNR2PABPC1
SCHEMBL3539520 0.76 HTR2C (0.64) TLR7PANK3HTR2CNPC1RAB9A
SCHEMBL4982775 0.76 KDM4E (0.52) LMNAHTTFAAHCNR2PABPC1
SCHEMBL12753671 0.76 HTT (0.57) NPC1LMNAGAAHTTRAB9A
SCHEMBL3538271 0.74 HTR2C (0.64) TLR7PANK3HTR2CNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP claimed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO claimed
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
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP 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

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 TLR7 2132/4885PANK3 1875/4885HTR2C 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.