SCHEMBL3539684

SCHEMBL3539684

O=C(c1csc(-c2ccccc2)n1)N1CCC2CCCC=C2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.48
PIN1 Q13526 3/20 0.46
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
CHRNA7 P36544 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
ACKR3 P25106 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
HTR2C P28335 3/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SCD5 Q86SK9 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
CHEK1 O14757 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
SCHEMBL3542012 0.85 HTR2C (0.43) PTGDR2PIN1HTR2CSCD5TRPC3
SCHEMBL3543133 0.83 HTR2C (0.66) HTR2CKDM4EALDH1A1SCD5TRPC3
SCHEMBL3537833 0.83 HTR2C (0.66) HTR2CKDM4EALDH1A1SCD5TRPC3
SCHEMBL3545036 0.80 ALDH1A1 (0.46) HTR2CKDM4EALDH1A1TDP1TRPC3
SCHEMBL3547001 0.79 PIM1 (0.41) HTR2CTRPC3TRPC6
SCHEMBL3535648 0.79 ACKR3 (0.47) PTGDR2PIN1HTR3EHTR3BCHRNA7
SCHEMBL3545134 0.77 ACKR3 (0.46) PTGDR2PIN1HTR3EHTR3BCHRNA7
SCHEMBL4983913 0.76 ACKR3 (0.45) PTGDR2PIN1HTR3EHTR3BCHRNA7
SCHEMBL3543198 0.76 HTR2C (0.63) PTGDR2PIN1HTR2CHDAC1HDAC8
SCHEMBL3547467 0.76 HTR2C (0.63) PTGDR2PIN1HTR2CHDAC1HDAC8

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 6 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
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 PTGDR2 1291/4885PIN1 2998/4885HTR3E 825/4885

“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.