SCHEMBL158346

SCHEMBL158346

COC(=O)C(C)(C)Cc1ncc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.46
CCNE2 O96020 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
CLK1 P49759 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
MAPT P10636 5/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 2/20 0.42
XBP1 P17861 1/20 0.42

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
SCHEMBL162482 0.90 EPHX2 (0.45) NPC1RAB9ACLK1GFERKMT2A
SCHEMBL161470 0.89 HDAC1 (0.49) NPC1RAB9ACLK1GFERKMT2A
SCHEMBL161215 0.89 CCNE2 (0.48) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL162141 0.84 MEN1 (0.45) NPC1RAB9ACLK1GFERKMT2A
SCHEMBL161259 0.82 RXRA (0.44) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL162967 0.81 TRPV1 (0.47) MAPTSMN1; SMN2LMNATRPV1
SCHEMBL160687 0.81 NPC1 (0.48) NPC1RAB9ACLK1GFERMAPT
SCHEMBL163218 0.81 HDAC1 (0.49) NPC1RAB9ACLK1GFERKMT2A
SCHEMBL161351 0.79 EPHX2 (0.47) NPC1RAB9ACLK1GFERKMT2A
SCHEMBL165000 0.77 P2RY1 (0.51) NPC1RAB9ACLK1GFERKMT2A

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 CCNB2 2878/4885CCNE2 2359/4885CDK1 1286/4885

“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.