SCHEMBL162585

SCHEMBL162585

Cc1noc(CC2CCC(c3ncc(-c4ccc(NC(=O)c5c(F)cccc5F)cc4)s3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 10/20 0.42
IL2 P60568 6/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KIT P10721 1/20 0.38
DGAT1 O75907 1/20 0.38
CRACR2A Q9BSW2 1/20 0.37

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
SCHEMBL15022013 0.90 DGAT1 (0.47) SIRT2KITDGAT1
SCHEMBL173869 0.89 DGAT1 (0.49) SIRT2KITDGAT1
SCHEMBL162601 0.87 SIRT2 (0.45) SIRT2KITDGAT1
SCHEMBL159701 0.86 IL2 (0.39) IL2ALDH1A1HSD17B10DGAT1CRACR2A
SCHEMBL160838 0.86 DGAT1 (0.49) SIRT2KITDGAT1
SCHEMBL162078 0.86 ACR (0.44) SIRT2KITDGAT1
SCHEMBL163177 0.85 DGAT1 (0.46) SIRT2KITDGAT1
SCHEMBL161730 0.84 DGAT1 (0.50) SIRT2KITDGAT1
SCHEMBL161656 0.83 DGAT1 (0.49) SIRT2KITDGAT1
SCHEMBL159068 0.79 CRACR2A (0.40) IL2DGAT1CRACR2A

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 SIRT2 472/4885IL2 4084/4885ALDH1A1 369/4885

“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.