SCHEMBL3536765

SCHEMBL3536765

O=C(NC1C2CC3CC(C2)CC1C3)c1csc(-c2cccc(Cl)c2Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.57
PANK3 Q9H999 1/20 0.53
HTR2C P28335 7/20 0.52
THRB P10828 1/20 0.48
FAAH O00519 1/20 0.45
EPHX2 P34913 2/20 0.43
HSD11B1 P28845 1/20 0.42
HTT P42858 1/20 0.41
CNR2 P34972 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CHRNA7 P36544 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 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
SCHEMBL3539497 0.82 THRB (0.52) HTR2CTHRBFAAHEPHX2CNR2
SCHEMBL4971542 0.80 FAAH (0.61) TLR7THRBFAAHCNR2IRAK4
SCHEMBL3535569 0.80 THRB (0.51) THRBFAAHEPHX2CNR2HTR3E
SCHEMBL3536770 0.80 TLR7 (0.57) TLR7PANK3HTR2CFAAHHTT
SCHEMBL3539520 0.76 HTR2C (0.64) TLR7PANK3HTR2CNPC1RAB9A
SCHEMBL4982772 0.76 FAAH (0.51) THRBFAAHEPHX2CNR2NPC1
SCHEMBL13548746 0.75 TLR7 (0.52) TLR7PANK3HTR2C
SCHEMBL3538271 0.74 HTR2C (0.64) TLR7PANK3HTR2CNPC1RAB9A
SCHEMBL5662962 0.74 TDP1 (0.51) TLR7PANK3HTR2CEPHX2RAB9A
SCHEMBL13548761 0.73 TLR7 (0.52) TLR7PANK3HTR2CRAB9AHTR3E

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.