SCHEMBL3540900

SCHEMBL3540900

CCOc1cc(Cl)ccc1-c1nc(C(=O)N2CCCC3CCCCC32)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.41
HCRTR1 O43613 5/20 0.41
PROKR1 Q8TCW9 4/20 0.39
HSD11B1 P28845 1/20 0.39
RAB9A P51151 1/20 0.39
SCN9A Q15858 1/20 0.39
HTR2C P28335 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
CPT1A P50416 1/20 0.38
PRKD3 O94806 1/20 0.37
PRKCG P05129 1/20 0.37
PRKCB P05771 1/20 0.37
IL1R1 P14778 1/20 0.37
PRKCA P17252 1/20 0.37
TNFRSF1A P19438 1/20 0.37
PRKCH P24723 1/20 0.37
PRKCI P41743 1/20 0.37
PRKCE Q02156 1/20 0.37

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
SCHEMBL3541501 0.90 HSD11B1 (0.43) HCRTR2HCRTR1HSD11B1RAB9AHTR2C
SCHEMBL3541310 0.85 HSD11B1 (0.43) HCRTR2HCRTR1HSD11B1HTR2CTRPV1
SCHEMBL3537433 0.85 PRKD3 (0.49) HSD11B1RAB9AHTR2CDRD2DRD4
SCHEMBL3538065 0.84 CPT1A (0.46) HCRTR2HCRTR1HSD11B1RAB9ACPT1A
SCHEMBL3536784 0.83 HSD11B1 (0.45) HCRTR2HCRTR1HSD11B1HTR2CTRPV1
SCHEMBL3543872 0.83 HSD11B1 (0.47) HSD11B1HTR2CTRPV1DRD2DRD4
SCHEMBL3538582 0.79 RAB9A (0.51) HSD11B1RAB9ASCN9AHTR2CDRD2
SCHEMBL3540903 0.79 PROKR1 (0.41) HCRTR2HCRTR1PROKR1RAB9ASCN9A
SCHEMBL3538079 0.78 SCD5 (0.47) HCRTR2HCRTR1RAB9AHTR2C
SCHEMBL3541004 0.78 TLR7 (0.51) HCRTR2HCRTR1HSD11B1HTR2CTLR7

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 11 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
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
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 HCRTR2 1668/4885HCRTR1 2820/4885PROKR1 1341/4885

“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.