SCHEMBL3536962

SCHEMBL3536962

O=C(NCC1CCCCC1)c1csc(-c2ccccc2Cl)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.53
USP30 Q70CQ3 1/20 0.49
PANK3 Q9H999 1/20 0.49
CNR1 P21554 1/20 0.48
HTR2C P28335 2/20 0.47
TLR7 Q9NYK1 2/20 0.47
IRAK4 Q9NWZ3 1/20 0.46
NPC1 O15118 3/20 0.46
P2RX7 Q99572 1/20 0.45
RAB9A P51151 2/20 0.45
HDAC6 Q9UBN7 1/20 0.44
PRKD3 O94806 1/20 0.44
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
IL1R1 P14778 1/20 0.44
PRKCA P17252 1/20 0.44
TNFRSF1A P19438 1/20 0.44
PRKCH P24723 1/20 0.44
PRKCI P41743 1/20 0.44
PRKCE Q02156 1/20 0.44

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
SCHEMBL3535409 0.89 PANK3 (0.53) CHRM1PANK3CNR1HTR2CTLR7
SCHEMBL3538123 0.85 USP30 (0.51) CHRM1USP30CNR1IRAK4NPC1
SCHEMBL4972824 0.82 NPC1 (0.64) CNR1HTR2CTLR7NPC1RAB9A
SCHEMBL3537090 0.81 PANK3 (0.64) CHRM1PANK3CNR1HTR2CTLR7
SCHEMBL25188147 0.79 USP30 (0.52) CHRM1USP30CNR1TLR7IRAK4
SCHEMBL12790015 0.78 USP30 (0.69) USP30TLR7NPC1RAB9AHDAC6
SCHEMBL30635009 0.78 NPSR1 (0.63) PANK3HTR2CTLR7IRAK4NPC1
SCHEMBL2548186 0.78 NPSR1 (0.63) PANK3HTR2CTLR7IRAK4NPC1
SCHEMBL14717207 0.77 PIN1 (0.52) PANK3CNR1HTR2CTLR7NPC1
SCHEMBL25243775 0.75 USP30 (0.52) USP30CNR1IRAK4P2RX7HDAC6

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 2 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 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 CHRM1 1762/4885USP30 3845/4885PANK3 1875/4885

“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.