SCHEMBL161764

SCHEMBL161764

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.55
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CTSC P53634 1/20 0.40
NTRK1 P04629 1/20 0.37
KDR P35968 7/20 0.37
ROCK2 O75116 1/20 0.37
LIMK1 P53667 1/20 0.37
PDGFRB P09619 4/20 0.37
FLT3 P36888 2/20 0.37
BRAF P15056 1/20 0.37
LCK P06239 1/20 0.37
CSF1R P07333 1/20 0.37
KIT P10721 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37
FGFR2 P21802 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
SCHEMBL162997 0.93 DGAT1 (0.55) DGAT1CA12CA1CA2CA9
SCHEMBL162343 0.91 DGAT1 (0.56) DGAT1CA12CA1CA2CA9
SCHEMBL161818 0.89 DGAT1 (0.53) DGAT1CA12CA1CA2CA9
SCHEMBL163934 0.87 DGAT1 (0.53) DGAT1CA12CA1CA2CA9
SCHEMBL173959 0.87 DGAT1 (0.60) DGAT1CA12CA1CA2CA9
SCHEMBL15022040 0.87 DGAT1 (0.51) DGAT1CA12CA1CA2CA9
SCHEMBL165743 0.86 DGAT1 (0.73) DGAT1CA12CA1CA2CA9
SCHEMBL160661 0.85 DGAT1 (0.59) DGAT1CA12CA1CA2CA9
SCHEMBL160147 0.85 DGAT1 (0.55) DGAT1CA12CA1CA2CA9
SCHEMBL163112 0.85 DGAT1 (0.58) DGAT1CA12CA1CA2CA9

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 1/4885CA12 4307/4885CA1 3328/4885

“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.