SCHEMBL174042

SCHEMBL174042

CC(C)c1ccc(NC(=O)Nc2ccc(-c3cnc(CCC(C)(C)C(=O)O)s3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
DGAT1 O75907 5/20 0.41
EPHX1 P07099 1/20 0.41
MAPK14 Q16539 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
GHSR Q92847 1/20 0.39
FFAR2 O15552 1/20 0.39
KIF11 P52732 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38

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
SCHEMBL162879 0.90 RAB9A (0.44) CNR1NPC1RAB9ADGAT1EPHX1
SCHEMBL162024 0.87 MAPT (0.46) CNR1NPC1RAB9ADGAT1MEN1
SCHEMBL161878 0.86 DGAT1 (0.52) CNR1DGAT1CCNE1CDK2
SCHEMBL160829 0.85 DGAT1 (0.57) CNR1NPC1RAB9ADGAT1MEN1
SCHEMBL159430 0.85 DGAT1 (0.43) CNR1DGAT1
SCHEMBL160057 0.83 DGAT1 (0.54) CNR1NPC1RAB9ADGAT1MEN1
SCHEMBL158731 0.83 DGAT1 (0.54) CNR1DGAT1CA12CA1CA2
SCHEMBL161969 0.83 NAMPT (0.53) NPC1RAB9AMEN1KMT2AGHSR
SCHEMBL164468 0.82 CNR1 (0.37) CNR1DGAT1
SCHEMBL166036 0.82 DGAT1 (0.59) NPC1RAB9ADGAT1MEN1KMT2A

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-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO claimed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 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 (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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 CNR1 946/4885NPC1 86/4885RAB9A 1781/4885

“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.