SCHEMBL161893

SCHEMBL161893

COC(=O)CCCc1ncc(-c2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.52
RAB9A P51151 3/20 0.42
CCNC P24863 2/20 0.42
CDK8 P49336 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KDR P35968 5/20 0.41
PDGFRB P09619 3/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
ROCK2 O75116 2/20 0.41
MAP4K4 O95819 2/20 0.41
LCK P06239 2/20 0.41
RET P07949 2/20 0.41
RPS6KB1 P23443 2/20 0.41
GSK3B P49841 2/20 0.41
BLK P51451 2/20 0.41
PRKCD Q05655 2/20 0.41
PRKAA1 Q13131 2/20 0.41
STK3 Q13188 2/20 0.41
ROCK1 Q13464 2/20 0.41

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
SCHEMBL161478 0.90 DGAT1 (0.56) DGAT1RAB9ACCNCCDK8KDM4E
SCHEMBL158826 0.84 DGAT1 (0.56) DGAT1RAB9ACDK8KDRPDGFRB
SCHEMBL162536 0.82 DGAT1 (0.54) DGAT1RAB9AKDM4EKDRKIT
SCHEMBL161029 0.78 ERCC5 (0.39) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL160613 0.78 PTPN1 (0.50) DGAT1KDRSMN1; SMN2POLB
SCHEMBL158665 0.78 DGAT1 (0.57) DGAT1RAB9ACDK8KDRPDGFRB
SCHEMBL162497 0.77 DGAT1 (0.54) DGAT1MAPTTP53SMN1; SMN2LMNA
SCHEMBL162622 0.77 DGAT1 (0.62) DGAT1KDRNTRK1MAPTNPC1
SCHEMBL163872 0.76 EPHX1 (0.51) RAB9AKDRNPC1TP53SMN1; SMN2
SCHEMBL162667 0.75 DGAT1 (0.56) DGAT1RAB9AKDM4EKDRKIT

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 1/4885RAB9A 1781/4885CCNC 2923/4885

“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.