SCHEMBL3545567

SCHEMBL3545567

Cc1ccncc1-c1nc(C(=O)N2CCOCC2)cs1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.67
HPGD P15428 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
CNR1 P21554 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3R2 O00459 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PIK3R5 Q8WYR1 1/20 0.41
PIK3R3 Q92569 1/20 0.41
AOC3 Q16853 1/20 0.41
SPR P35270 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
SCHEMBL3538552 0.88 HTR2C (0.56) HTR2CHPGDIRAK4NPC1RAB9A
SCHEMBL3543512 0.80 IRAK4 (0.64) HTR2CIRAK4NPC1RAB9ASMN1; SMN2
SCHEMBL6654343 0.77 ALDH1A1 (0.55) HPGDIRAK4
SCHEMBL12279021 0.77 HTR2C (0.55) HTR2CIRAK4SMN1; SMN2CNR1
SCHEMBL6649854 0.76 HTR2B (0.52) HPGDIRAK4CCNCCDK8
SCHEMBL26707398 0.76 HPGD (0.61) HTR2CHPGDNPC1RAB9AHRH3
SCHEMBL4433778 0.73 HTR2C (0.61) HTR2CHPGDNPC1RAB9AHRH3
SCHEMBL6647791 0.72 RAB9A (0.56) HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL31206570 0.71 HTR2C (0.58) HTR2CHPGDNPC1RAB9AHRH3
SCHEMBL14819958 0.71 HTR2C (0.55) HTR2CHPGDNPC1RAB9AHRH3

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
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US claimed
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-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 claimed
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

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 422/4885HPGD 1113/4885IRAK4 806/4885

“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.