SCHEMBL161587

SCHEMBL161587

O=C(O)CN1CCC(c2nc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)cs2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.49
ROCK1 Q13464 1/20 0.47
KDR P35968 1/20 0.45
EPHB4 P54760 1/20 0.45
TEK Q02763 1/20 0.45
LMNA P02545 2/20 0.44
CPT2 P23786 1/20 0.44
CPT1A P50416 1/20 0.44
SCN9A Q15858 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
FAAH O00519 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
PKM P14618 2/20 0.42

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
SCHEMBL163021 0.90 ROCK2 (0.47) TRPV1ROCK1EPHB4TEKLMNA
SCHEMBL162044 0.89 ENPP2 (0.46) TRPV1ROCK1KDREPHB4TEK
SCHEMBL159317 0.82 DGAT1 (0.56) TRPV1KDREPHB4TEKSMN1; SMN2
SCHEMBL162210 0.79 SMN1; SMN2 (0.45) TRPV1ROCK1EPHB4TEKCPT2
SCHEMBL159031 0.73 DGAT1 (0.49) TRPV1KDRTEKSMN1; SMN2HTT
SCHEMBL159643 0.72 DGAT1 (0.57) SMN1; SMN2HTTMAPTALDH1A1NPC1
SCHEMBL164644 0.72 DGAT1 (0.56) TRPV1KDRDGAT1
SCHEMBL162142 0.72 DGAT1 (0.56) TRPV1KDREPHB4TEKLMNA
SCHEMBL162242 0.72 DGAT1 (0.49) TRPV1ROCK1KDRMEN1MAPK1
SCHEMBL161965 0.71 DGAT1 (0.44) TRPV1KDRDGAT1

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 2426/4885ROCK1 1909/4885KDR 4203/4885

“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.