SCHEMBL163934

SCHEMBL163934

CC(C)(O)CC1CCC(c2ncc(-c3ccc(NC(=O)Nc4cc(F)c(F)cc4F)cc3)s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.53
CTSC P53634 1/20 0.40
NTRK1 P04629 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KDR P35968 3/20 0.35
BRAF P15056 1/20 0.35
MAPK14 Q16539 1/20 0.35
CRACR2A Q9BSW2 1/20 0.34
AURKA O14965 1/20 0.34
FLT3 P36888 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
SCHEMBL161818 0.93 DGAT1 (0.53) DGAT1CTSCNTRK1CA12CA1
SCHEMBL159302 0.92 DGAT1 (0.54) DGAT1CTSCNTRK1CA12CA1
SCHEMBL162997 0.89 DGAT1 (0.55) DGAT1CTSCNTRK1CA12CA1
SCHEMBL161946 0.89 DGAT1 (0.51) DGAT1CTSCKDRAURKAFLT3
SCHEMBL15021971 0.88 DGAT1 (0.50) DGAT1CTSCNTRK1CA12CA1
SCHEMBL161764 0.87 DGAT1 (0.55) DGAT1CTSCNTRK1CA12CA1
SCHEMBL162202 0.87 DGAT1 (0.57) DGAT1CTSCNTRK1CA12CA1
SCHEMBL162361 0.85 DGAT1 (0.51) DGAT1CTSCNTRK1CA12CA1
SCHEMBL173959 0.84 DGAT1 (0.60) DGAT1CTSCNTRK1CA12CA1
SCHEMBL161945 0.84 DGAT1 (0.51) DGAT1CTSCNTRK1KDRAURKA

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 1/4885CTSC 1668/4885NTRK1 4473/4885

“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.