SCHEMBL158665

SCHEMBL158665

COC(=O)CCc1ncc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.57
MAPT P10636 4/20 0.54
NPC1 O15118 1/20 0.54
KDR P35968 10/20 0.51
PDGFRB P09619 3/20 0.51
CDK8 P49336 3/20 0.51
CDK7 P50613 1/20 0.51
CDK6 Q00534 1/20 0.51
MAPK14 Q16539 3/20 0.49
TNNI3K Q59H18 3/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 1/20 0.49
TEK Q02763 2/20 0.49
KIT P10721 1/20 0.49
BRAF P15056 2/20 0.48

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
SCHEMBL158826 0.94 DGAT1 (0.56) DGAT1MAPTNPC1KDRPDGFRB
SCHEMBL163790 0.89 DGAT1 (0.60) DGAT1MAPTNPC1KDRPDGFRB
SCHEMBL164942 0.86 DGAT1 (0.55) DGAT1MAPTNPC1KDRPDGFRB
SCHEMBL162156 0.86 DGAT1 (0.55) DGAT1MAPTNPC1KDRPDGFRB
SCHEMBL163271 0.86 DGAT1 (0.58) DGAT1MAPTNPC1KDRPDGFRB
SCHEMBL166036 0.84 DGAT1 (0.59) DGAT1MAPTNPC1KDRPDGFRB
SCHEMBL12059419 0.81 MAPT (0.61) MAPTNPC1KDRCDK8MAPK14
SCHEMBL162096 0.80 DGAT1 (0.59) DGAT1MAPTNPC1KDRPDGFRB
SCHEMBL164156 0.80 MAPT (0.52) DGAT1MAPTNPC1KDRPDGFRB
SCHEMBL162667 0.79 DGAT1 (0.56) DGAT1MAPTNPC1KDRMEN1

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 1/4885MAPT 137/4885NPC1 86/4885

“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.