SCHEMBL3535409

SCHEMBL3535409

O=C(NCCC1CCCCC1)c1csc(-c2ccccc2Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.53
ACKR3 P25106 1/20 0.52
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTR2C P28335 2/20 0.46
TLR7 Q9NYK1 2/20 0.46
TYR P14679 1/20 0.45
CNR1 P21554 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK11 Q15759 1/20 0.43
PRKD3 O94806 1/20 0.43
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43
IL1R1 P14778 1/20 0.43
PRKCA P17252 1/20 0.43
TNFRSF1A P19438 1/20 0.43
PRKCH P24723 1/20 0.43
PRKCI P41743 1/20 0.43

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
SCHEMBL3537090 0.92 PANK3 (0.64) PANK3ACKR3NPC1RAB9AL3MBTL1
SCHEMBL3536962 0.89 CHRM1 (0.53) PANK3ACKR3NPC1RAB9AL3MBTL1
SCHEMBL3545631 0.85 ACKR3 (0.69) ACKR3NPC1RAB9AL3MBTL1TLR7
SCHEMBL3547754 0.85 ACKR3 (0.52) PANK3ACKR3NPC1RAB9AL3MBTL1
SCHEMBL4972824 0.83 NPC1 (0.64) NPC1RAB9AHTR2CTLR7TYR
SCHEMBL2548186 0.76 NPSR1 (0.63) PANK3NPC1RAB9AL3MBTL1HTR2C
SCHEMBL30635009 0.76 NPSR1 (0.63) PANK3NPC1RAB9AL3MBTL1HTR2C
SCHEMBL13548749 0.75 PDE4B (0.54) PANK3NPC1RAB9AHTR2CTLR7
SCHEMBL14717207 0.75 PIN1 (0.52) PANK3NPC1RAB9AHTR2CTLR7
SCHEMBL3455872 0.75 RAB9A (0.55) NPC1RAB9AL3MBTL1TDP1CHRM1

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 PANK3 1875/4885ACKR3 3834/4885NPC1 891/4885

“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.