SCHEMBL164468

SCHEMBL164468

CC(C)(CCc1ncc(-c2ccc(NC(=O)Nc3nnn[nH]3)cc2)s1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.37
DGAT1 O75907 11/20 0.36
NAMPT P43490 4/20 0.36
SYK P43405 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL174493 0.91 NAMPT (0.35) CNR1DGAT1NAMPTAURKA
SCHEMBL174042 0.82 CNR1 (0.43) CNR1DGAT1
SCHEMBL162024 0.82 MAPT (0.46) CNR1DGAT1
SCHEMBL161878 0.81 DGAT1 (0.52) CNR1DGAT1SYK
SCHEMBL159430 0.80 DGAT1 (0.43) CNR1DGAT1NAMPTSYKAURKA
SCHEMBL160829 0.79 DGAT1 (0.57) CNR1DGAT1
SCHEMBL160057 0.79 DGAT1 (0.54) CNR1DGAT1
SCHEMBL158731 0.79 DGAT1 (0.54) CNR1DGAT1SYK
SCHEMBL161969 0.78 NAMPT (0.53) NAMPT
SCHEMBL166036 0.78 DGAT1 (0.59) DGAT1AURKAAURKB

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 946/4885DGAT1 1/4885NAMPT 32/4885

“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.