SCHEMBL162045

SCHEMBL162045

CC(C)(Cc1ncc(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)o1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.49
NR1H4 Q96RI1 2/20 0.48
HDAC3 O15379 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NAMPT P43490 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL163084 0.93 NPC1 (0.51) NR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL162967 0.90 TRPV1 (0.47) TRPV1HDAC3HDAC11HDAC8HDAC6
SCHEMBL160687 0.83 NPC1 (0.48) NR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL161351 0.83 EPHX2 (0.47) HDAC6NPC1RAB9A
SCHEMBL161215 0.81 CCNE2 (0.48) NPC1RAB9ASMN1; SMN2
SCHEMBL163218 0.79 HDAC1 (0.49) HDAC3HDAC11HDAC8HDAC6NPC1
SCHEMBL165688 0.77 DGAT1 (0.60) TRPV1NR1H4HDAC3HDAC11HDAC8
SCHEMBL160302 0.76 SMO (0.48) NPC1RAB9ASMN1; SMN2
SCHEMBL164685 0.73 KMT2A (0.52) TRPV1NPC1
SCHEMBL12044572 0.73 PTPN1 (0.70) TRPV1NR1H4HDAC3HDAC11HDAC8

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 2426/4885NR1H4 445/4885HDAC3 688/4885

“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.