SCHEMBL163872

SCHEMBL163872

COC(=O)CCc1ncc(-c2ccc(NC(=O)NC3CCCCC3)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.51
NPC1 O15118 7/20 0.51
EPHX2 P34913 7/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
KDR P35968 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL162494 0.89 EPHX1 (0.50) EPHX1NPC1EPHX2RAB9ASMN1; SMN2
SCHEMBL163566 0.85 EPHX2 (0.49) EPHX1NPC1EPHX2RAB9ASMN1; SMN2
SCHEMBL162878 0.82 EPHX1 (0.49) EPHX1NPC1EPHX2RAB9ASMN1; SMN2
SCHEMBL158865 0.82 EPHX2 (0.51) EPHX1NPC1EPHX2RAB9ASMN1; SMN2
SCHEMBL163195 0.80 EPHX1 (0.51) EPHX1NPC1EPHX2RAB9ASMN1; SMN2
SCHEMBL15022218 0.78 EPHX1 (0.44) EPHX1NPC1EPHX2RAB9ASMN1; SMN2
SCHEMBL162667 0.77 DGAT1 (0.56) NPC1EPHX2RAB9ASMN1; SMN2TP53
SCHEMBL161947 0.77 EPHX1 (0.49) EPHX1NPC1EPHX2RAB9ASMN1; SMN2
SCHEMBL161893 0.76 DGAT1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL15022046 0.76 EPHX1 (0.46) EPHX1NPC1EPHX2RAB9ASMN1; SMN2

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 EPHX1 786/4885NPC1 86/4885EPHX2 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.