SCHEMBL3544402

SCHEMBL3544402

O=C(c1csc(-c2ccccc2)n1)N1CCCCC1c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 13/20 0.54
CPT1B Q92523 5/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
CPT2 P23786 6/20 0.50
TLR7 Q9NYK1 1/20 0.48
TRPC3 Q13507 1/20 0.48
TRPC6 Q9Y210 1/20 0.48
SCD5 Q86SK9 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PIN1 Q13526 1/20 0.45

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
SCHEMBL4982379 1.00 CPT1A (0.54) CPT1ACPT1BCNR1CNR2CPT2
SCHEMBL5662926 0.85 CPT1A (0.46) CPT1ACPT1BCNR1CNR2CPT2
SCHEMBL5661450 0.85 CPT1A (0.46) CPT1ACPT1BCNR1CNR2CPT2
SCHEMBL4977346 0.84 HTR2C (0.59) CPT1ACNR1CNR2TLR7TRPC3
SCHEMBL4987440 0.84 HTR2C (0.59) CPT1ACNR1CNR2TLR7TRPC3
SCHEMBL3539994 0.80 TRPC3 (0.57) CNR1CNR2TRPC3TRPC6NPC1
SCHEMBL4980637 0.80 MAP4K1 (0.48) CPT1ACPT2TRPC3TRPC6SCD5
SCHEMBL4177283 0.80 TRPC3 (0.51) CPT1ACPT1BCPT2TRPC3TRPC6
SCHEMBL4172975 0.80 TRPC3 (0.51) CPT1ACPT1BCPT2TRPC3TRPC6
SCHEMBL4169816 0.79 TRPC3 (0.51) CPT1ACPT1BCPT2TRPC3TRPC6

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 14 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-7696207-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-04-13 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
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
US-20080200472-A1 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2008-08-21 US disclosed
US-7262194-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2007-08-28 US 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 (2 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 CPT1A 95/4885CPT1B 281/4885CNR1 888/4885
US-20080200472-A1 Therapeutic agents useful for treating pain HRH2, OPRL1, TRPV1 CPT1A 2652/4885CPT1B 3531/4885CNR1 51/4885

“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.