SCHEMBL163566

SCHEMBL163566

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
NPC1 O15118 7/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
EPHX1 P07099 8/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
KDR P35968 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL162878 0.91 EPHX1 (0.49) EPHX2ADRB2ADRB1NPC1RAB9A
SCHEMBL158865 0.91 EPHX2 (0.51) EPHX2ADRB2ADRB1NPC1RAB9A
SCHEMBL162112 0.88 MEN1 (0.43) EPHX2ADRB2ADRB1NPC1RAB9A
SCHEMBL163872 0.85 EPHX1 (0.51) EPHX2ADRB2ADRB1NPC1RAB9A
SCHEMBL15022240 0.84 DGAT1 (0.36) EPHX2ADRB2ADRB1
SCHEMBL158790 0.84 RAB9A (0.49) RAB9ASMN1; SMN2KDRCYP3A4CYP2D6
SCHEMBL164809 0.84 MAPT (0.42) NPC1RAB9ASMN1; SMN2TP53KDR
SCHEMBL161205 0.84 MAPT (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL163195 0.83 EPHX1 (0.51) EPHX2ADRB2ADRB1NPC1RAB9A
SCHEMBL162879 0.83 RAB9A (0.44) NPC1RAB9ASMN1; SMN2EPHX1

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 EPHX2 712/4885ADRB2 1386/4885ADRB1 785/4885

“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.