SCHEMBL162085

SCHEMBL162085

O=COC1CCC(c2ncc(-c3ccc(NC(=O)Nc4cc(F)cc(F)c4)cc3)s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.53
TEK Q02763 1/20 0.37
KDR P35968 3/20 0.37
KIT P10721 1/20 0.37
CNR1 P21554 2/20 0.36
CDK8 P49336 2/20 0.36
CSGALNACT1 Q8TDX6 1/20 0.36
AURKA O14965 1/20 0.36
MAP4K4 O95819 1/20 0.36
LCK P06239 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
PDGFRA P16234 1/20 0.36
PRKX P51817 1/20 0.36
CDK5 Q00535 1/20 0.36
ROCK1 Q13464 1/20 0.36
AURKB Q96GD4 1/20 0.36
CTSC P53634 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
SCHEMBL163071 0.90 DGAT1 (0.44) DGAT1TEKKDRKITCNR1
SCHEMBL174659 0.88 CNR1 (0.49) DGAT1KDRCNR1AURKA
SCHEMBL164678 0.88 DGAT1 (0.56) DGAT1CSGALNACT1
SCHEMBL15022085 0.88 DGAT1 (0.55) DGAT1KDRCNR1PDGFRBCTSC
SCHEMBL162707 0.88 DGAT1 (0.44) DGAT1TEKKDRCNR1AURKA
SCHEMBL162577 0.86 DGAT1 (0.56) DGAT1TEKKDRKITCNR1
SCHEMBL173788 0.86 KDR (0.45) DGAT1TEKKDRKITCNR1
SCHEMBL174149 0.85 DGAT1 (0.55) DGAT1TEKKDRKITCNR1
SCHEMBL162774 0.85 DGAT1 (0.43) DGAT1CNR1CTSC
SCHEMBL162084 0.85 DGAT1 (0.71) DGAT1KDRKITCNR1AURKA

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 1/4885TEK 3387/4885KDR 4203/4885

“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.