SCHEMBL163068

SCHEMBL163068

CCCCCc1ccc(C(=O)Nc2ccc(-c3cnc(CC(C)(C)CC(=O)OC)s3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.45
DGAT1 O75907 2/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
PLK1 P53350 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
BDKRB2 P30411 1/20 0.40

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
SCHEMBL164624 0.91 TRPV1 (0.47) TRPV1DGAT1KDM4ENPC1RAB9A
SCHEMBL160317 0.87 TRPV1 (0.48) TRPV1DGAT1KDM4ESMN1; SMN2NPC1
SCHEMBL161347 0.86 DGAT1 (0.54) TRPV1DGAT1SMN1; SMN2LMNAMAPT
SCHEMBL159279 0.86 TRPV1 (0.48) TRPV1DGAT1KDM4ESMN1; SMN2NPC1
SCHEMBL163569 0.86 PTPN1 (0.48) TRPV1DGAT1SMN1; SMN2
SCHEMBL158818 0.81 TRPV1 (0.51) TRPV1DGAT1KDM4ENPC1RAB9A
SCHEMBL164815 0.80 NR1H4 (0.53) TRPV1DGAT1KDM4ENPC1RAB9A
SCHEMBL15022093 0.77 KMT2A (0.36) DGAT1KDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL162846 0.77 DGAT1 (0.48) TRPV1DGAT1SMN1; SMN2
SCHEMBL158331 0.77 DGAT1 (0.58) TRPV1DGAT1

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 TRPV1 2426/4885DGAT1 1/4885KDM4E 4508/4885

“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.