SCHEMBL3538488

SCHEMBL3538488

COc1cccc(F)c1-c1nc(C(=O)N2CCCCC2C)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.48
TRPC6 Q9Y210 1/20 0.48
HPGD P15428 4/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PIM1 P11309 8/20 0.43
PIM3 Q86V86 3/20 0.43
PIM2 Q9P1W9 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SCD5 Q86SK9 1/20 0.41
GAA P10253 2/20 0.41
GHSR Q92847 1/20 0.41
POLB P06746 1/20 0.40
HTR2C P28335 1/20 0.39

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
SCHEMBL3540061 0.88 PIM1 (0.44) PIM1PIM3PIM2SCD5
SCHEMBL3543633 0.85 TRPC3 (0.53) TRPC3TRPC6HPGDTSHRTP53
SCHEMBL4980637 0.84 MAP4K1 (0.48) TRPC3TRPC6NPC1RAB9APIM1
SCHEMBL3546998 0.81 MEN1 (0.47) TRPC3TRPC6NPC1RAB9APIM1
SCHEMBL13548687 0.81 MEN1 (0.47) TRPC3TRPC6NPC1RAB9APIM1
SCHEMBL4973020 0.79 TRPC3 (0.53) TRPC3TRPC6HPGDTSHRTP53
SCHEMBL3540062 0.77 PIM1 (0.40) PIM1PIM3PIM2
SCHEMBL3539994 0.77 TRPC3 (0.57) TRPC3TRPC6HPGDTSHRTP53
SCHEMBL30448183 0.77 ALDH1A1 (0.55) HPGDKDM4EPIM1PIM3PIM2
SCHEMBL3536356 0.77 ALDH1A1 (0.55) HPGDKDM4EPIM1PIM3PIM2

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 TRPC3 2595/4885TRPC6 1554/4885HPGD 1113/4885

“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.