SCHEMBL162997

SCHEMBL162997

CC(C)(O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4cc(F)c(F)cc4F)cc3)s2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.55
CTSC P53634 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
NTRK1 P04629 1/20 0.37
KDR P35968 3/20 0.37
BRAF P15056 1/20 0.37
MAPK14 Q16539 1/20 0.36
CRACR2A Q9BSW2 1/20 0.36
AURKA O14965 1/20 0.35
FLT3 P36888 1/20 0.35
IDH1 O75874 1/20 0.35

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
SCHEMBL161764 0.93 DGAT1 (0.55) DGAT1CTSCCA12CA1CA2
SCHEMBL158343 0.91 DGAT1 (0.56) DGAT1CA12CA1CA2CA9
SCHEMBL163934 0.89 DGAT1 (0.53) DGAT1CTSCCA12CA1CA2
SCHEMBL160614 0.88 DGAT1 (0.53) DGAT1CTSCKDRAURKAFLT3
SCHEMBL161818 0.87 DGAT1 (0.53) DGAT1CTSCCA12CA1CA2
SCHEMBL173959 0.87 DGAT1 (0.60) DGAT1CTSCCA12CA1CA2
SCHEMBL15022040 0.87 DGAT1 (0.51) DGAT1CTSCCA12CA1CA2
SCHEMBL165743 0.86 DGAT1 (0.73) DGAT1CTSCCA12CA1CA2
SCHEMBL160661 0.85 DGAT1 (0.59) DGAT1CTSCCA12CA1CA2
SCHEMBL160147 0.85 DGAT1 (0.55) DGAT1CTSCCA12CA1CA2

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 1668/4885CA12 4307/4885

“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.