SCHEMBL159279

SCHEMBL159279

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.48
DGAT1 O75907 1/20 0.45
KDM4E B2RXH2 2/20 0.44
PLK1 P53350 1/20 0.43
BDKRB2 P30411 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GALR3 O60755 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL160317 0.95 TRPV1 (0.48) TRPV1DGAT1KDM4EPLK1BDKRB2
SCHEMBL164815 0.91 NR1H4 (0.53) TRPV1DGAT1KDM4EBDKRB2NR1H4
SCHEMBL158818 0.88 TRPV1 (0.51) TRPV1DGAT1KDM4EBDKRB2NR1H4
SCHEMBL160613 0.87 PTPN1 (0.50) TRPV1DGAT1NR1H4SMN1; SMN2
SCHEMBL163068 0.86 TRPV1 (0.45) TRPV1DGAT1KDM4EPLK1BDKRB2
SCHEMBL162497 0.86 DGAT1 (0.54) TRPV1DGAT1NR1H4SMN1; SMN2
SCHEMBL158605 0.85 SMN1; SMN2 (0.53) KDM4EMEN1KMT2ANR1H4NPC1
SCHEMBL164624 0.80 TRPV1 (0.47) TRPV1DGAT1KDM4EBDKRB2NR1H4
SCHEMBL160403 0.80 DGAT1 (0.56) TRPV1DGAT1NR1H4SMN1; SMN2
SCHEMBL162225 0.78 SMN1; SMN2 (0.54) KDM4EMEN1KMT2ANR1H4RAB9A

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.