SCHEMBL164815

SCHEMBL164815

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.53
TRPV1 Q8NER1 11/20 0.50
DGAT1 O75907 1/20 0.49
KDM4E B2RXH2 2/20 0.46
S1PR1 P21453 1/20 0.46
BDKRB2 P30411 1/20 0.44
NPC1 O15118 1/20 0.43
GALR3 O60755 1/20 0.43
RAB9A P51151 1/20 0.43
TBK1 Q9UHD2 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
SCHEMBL158818 0.95 TRPV1 (0.51) NR1H4TRPV1DGAT1KDM4ES1PR1
SCHEMBL159279 0.91 TRPV1 (0.48) NR1H4TRPV1DGAT1KDM4EBDKRB2
SCHEMBL160317 0.88 TRPV1 (0.48) TRPV1DGAT1KDM4EBDKRB2NPC1
SCHEMBL158827 0.86 PTPN1 (0.51) NR1H4TRPV1
SCHEMBL164624 0.85 TRPV1 (0.47) NR1H4TRPV1DGAT1KDM4EBDKRB2
SCHEMBL162665 0.85 NR1H4 (0.62) NR1H4TRPV1DGAT1
SCHEMBL162225 0.83 SMN1; SMN2 (0.54) NR1H4KDM4ERAB9A
SCHEMBL163068 0.80 TRPV1 (0.45) TRPV1DGAT1KDM4EBDKRB2NPC1
SCHEMBL2186629 0.80 TRPV1 (0.68) NR1H4TRPV1KDM4ES1PR1NPC1
SCHEMBL161479 0.79 NR1H4 (0.61) NR1H4TRPV1DGAT1

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 NR1H4 445/4885TRPV1 2426/4885DGAT1 1/4885

“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.