SCHEMBL162665

SCHEMBL162665

CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3cnc(CCCC(=O)O)s3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.62
DGAT1 O75907 3/20 0.58
TRPV1 Q8NER1 3/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL161479 0.94 NR1H4 (0.61) NR1H4DGAT1TRPV1PTGDR2KCNK9
SCHEMBL162497 0.90 DGAT1 (0.54) NR1H4DGAT1TRPV1HDAC3HDAC11
SCHEMBL158827 0.89 PTPN1 (0.51) NR1H4TRPV1PTGDR2
SCHEMBL160403 0.86 DGAT1 (0.56) NR1H4DGAT1TRPV1HDAC3HDAC11
SCHEMBL161164 0.86 DGAT1 (0.58) NR1H4DGAT1TRPV1KCNK9HDAC3
SCHEMBL164815 0.85 NR1H4 (0.53) NR1H4DGAT1TRPV1
SCHEMBL158331 0.84 DGAT1 (0.58) NR1H4DGAT1TRPV1KCNK9HDAC3
SCHEMBL165688 0.83 DGAT1 (0.60) NR1H4DGAT1TRPV1KCNK9HDAC3
SCHEMBL160757 0.82 NR1H4 (0.67) NR1H4TRPV1PTGDR2HDAC3HDAC11
SCHEMBL163250 0.82 DGAT1 (0.54) DGAT1TRPV1HDAC3HDAC11HDAC8

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 445/4885DGAT1 1/4885TRPV1 2426/4885

“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.