SCHEMBL161059

SCHEMBL161059

O=C(Nc1ccc(-c2cnc(C34CC5CC(CC(C(=O)O)(C5)C3)C4)s2)cc1)Nc1c(F)cccc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
DGAT1 O75907 7/20 0.42
EPHX2 P34913 1/20 0.42
KMT2A Q03164 2/20 0.41
IKBKB O14920 2/20 0.39
RARA P10276 2/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
NAMPT P43490 2/20 0.37
AURKA O14965 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL164213 0.91 EPHX2 (0.54) CNR1DGAT1EPHX2KMT2AIKBKB
SCHEMBL175824 0.91 EPHX2 (0.40) CNR1DGAT1EPHX2KMT2AIKBKB
SCHEMBL163047 0.88 DGAT1 (0.51) CNR1DGAT1EPHX2KMT2AIKBKB
SCHEMBL161700 0.88 DGAT1 (0.53) CNR1DGAT1EPHX2KMT2AIKBKB
SCHEMBL161756 0.87 EPHX2 (0.42) CNR1DGAT1EPHX2KMT2AIKBKB
SCHEMBL161219 0.86 DGAT1 (0.54) DGAT1EPHX2KMT2AIKBKBRARA
SCHEMBL163187 0.85 DGAT1 (0.53) DGAT1EPHX2KMT2AKDRFLT3
SCHEMBL163081 0.84 DGAT1 (0.53) CNR1DGAT1EPHX2KMT2AIKBKB
SCHEMBL176202 0.83 DGAT1 (0.41) CNR1DGAT1EPHX2KMT2AIKBKB
SCHEMBL162102 0.82 EPHX2 (0.52) CNR1DGAT1EPHX2KMT2ACA12

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 CNR1 946/4885DGAT1 1/4885EPHX2 712/4885

“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.