SCHEMBL162787

SCHEMBL162787

Cc1nnc(CC2CCC(c3ncc(-c4ccc(NC(=O)Nc5c(F)cc(F)cc5F)cc4)s3)CC2)o1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.41
IDO1 P14902 2/20 0.36
AURKA O14965 2/20 0.35
KDR P35968 2/20 0.35
FLT3 P36888 2/20 0.35
APOL1 O14791 1/20 0.35
CTSC P53634 1/20 0.35
BTK Q06187 1/20 0.34
ENPP2 Q13822 4/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL162955 0.93 DGAT1 (0.47) DGAT1IDO1AURKAKDRFLT3
SCHEMBL159500 0.92 DGAT1 (0.51) DGAT1IDO1NTRK1
SCHEMBL159069 0.90 DGAT1 (0.49) DGAT1IDO1AURKAKDRFLT3
SCHEMBL160576 0.88 DGAT1 (0.44) DGAT1AURKAKDRFLT3
SCHEMBL159701 0.85 IL2 (0.39) DGAT1ENPP2
SCHEMBL161809 0.83 DGAT1 (0.50) DGAT1KDRFLT3ENPP2
SCHEMBL159062 0.83 DGAT1 (0.47) DGAT1AURKAKDRFLT3CTSC
SCHEMBL162246 0.82 DGAT1 (0.41) DGAT1IDO1AURKAKDRFLT3
SCHEMBL163177 0.79 DGAT1 (0.46) DGAT1IDO1AURKAKDRFLT3
SCHEMBL161730 0.79 DGAT1 (0.50) DGAT1IDO1AURKAKDRFLT3

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 DGAT1 1/4885IDO1 1197/4885AURKA 4442/4885

“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.