SCHEMBL161939

SCHEMBL161939

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccccc4)cc3)s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.56
CNR1 P21554 1/20 0.46
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
CDK5 Q00535 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KDR P35968 3/20 0.43
FLT3 P36888 2/20 0.43
AURKA O14965 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
KIT P10721 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
NAMPT P43490 1/20 0.41
PDGFRB P09619 1/20 0.41

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
SCHEMBL160070 0.93 DGAT1 (0.49) DGAT1CNR1ALDH1A1
SCHEMBL162685 0.92 DGAT1 (0.46) DGAT1CNR1ALDH1A1KDRFLT3
SCHEMBL160635 0.91 CNR1 (0.50) DGAT1CNR1KDRFLT3AURKA
SCHEMBL161666 0.90 DGAT1 (0.59) DGAT1CNR1KDRKIT
SCHEMBL161902 0.90 DGAT1 (0.46) DGAT1CNR1KDRFLT3AURKA
SCHEMBL160673 0.90 DGAT1 (0.49) DGAT1CDK5KDRFLT3AURKA
SCHEMBL162638 0.90 DGAT1 (0.59) DGAT1KDRPDGFRB
SCHEMBL174112 0.89 DGAT1 (0.48) DGAT1CNR1KDRFLT3AURKA
SCHEMBL161973 0.89 DGAT1 (0.69) DGAT1CNR1CCNE1CDK2CDK5
SCHEMBL174097 0.88 DGAT1 (0.58) DGAT1KDRFLT3AURKAKIT

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 1/4885CNR1 946/4885CCNE1 2008/4885

“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.