SCHEMBL3584595

SCHEMBL3584595

CC(=O)CN(C)c1ncsc1C(=O)NC1CCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.47
CNR1 P21554 2/20 0.45
CNR2 P34972 1/20 0.45
CHRM4 P08173 2/20 0.45
TAS1R3 Q7RTX0 4/20 0.43
TAS1R1 Q7RTX1 4/20 0.43
TAS1R2 Q8TE23 2/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGDS O60760 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PDE2A O00408 1/20 0.43
HTT P42858 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
MLLT3 P42568 1/20 0.42
MLLT1 Q03111 1/20 0.42

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
SCHEMBL2075961 0.72 TAS1R3 (0.55) CNR1CNR2CHRM4TAS1R3TAS1R1
SCHEMBL3584812 0.72 ALDH1A1 (0.45) ALDH1A1HPGDS
SCHEMBL600676 0.68 PDPK1 (0.61) TAS1R3TAS1R1TAS1R2ALDH1A1HTT
SCHEMBL1988494 0.68 PDPK1 (0.61) TAS1R3TAS1R1TAS1R2ALDH1A1HTT
SCHEMBL8029932 0.68 PDPK1 (0.61) TAS1R3TAS1R1TAS1R2ALDH1A1HTT
SCHEMBL2466144 0.68 PDPK1 (0.61) TAS1R3TAS1R1TAS1R2ALDH1A1HTT
SCHEMBL8622368 0.68 CNR1 (0.52) P2RX7CNR1CNR2TAS1R3TAS1R1
SCHEMBL2078923 0.68 TAS1R3 (0.53) CNR1CNR2CHRM4TAS1R3TAS1R1
SCHEMBL3588679 0.67 CNR1 (0.65) CNR1CNR2CHRM4TAS1R3TAS1R1
SCHEMBL2079091 0.67 TAS1R3 (0.66) CNR1CNR2TAS1R3TAS1R1TAS1R2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541457-B2 Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2013-09-24 US claimed
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2013-04-18 US claimed
EP-2540296-A1 Arminothiazole derivatives as human stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2013-01-02 EP claimed
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 US claimed
US-8541457-B2 Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2013-09-24 US disclosed
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2013-04-18 US disclosed
EP-2540296-A1 Arminothiazole derivatives as human stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2013-01-02 EP disclosed
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 US disclosed
EP-2029138-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2009-03-04 EP disclosed
WO-2007130075-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-11-15 WO 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 (2 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-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 P2RX7 4874/4885CNR1 816/4885CNR2 932/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 P2RX7 4873/4885CNR1 815/4885CNR2 928/4885

“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.