SCHEMBL162044

SCHEMBL162044

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.46
TRPV1 Q8NER1 4/20 0.44
ROCK1 Q13464 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
KDR P35968 1/20 0.42
EPHB4 P54760 1/20 0.42
TEK Q02763 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SCN9A Q15858 1/20 0.41
FAAH O00519 1/20 0.41
PPARG P37231 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL162210 0.90 SMN1; SMN2 (0.45) ENPP2TRPV1ROCK1SMN1; SMN2NPC1
SCHEMBL161587 0.89 TRPV1 (0.49) TRPV1ROCK1SMN1; SMN2NPC1RAB9A
SCHEMBL159031 0.85 DGAT1 (0.49) TRPV1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL163021 0.79 ROCK2 (0.47) TRPV1ROCK1SMN1; SMN2NPC1RAB9A
SCHEMBL161936 0.79 ENPP2 (0.50) ENPP2SMN1; SMN2FAAHALDH1A1LMNA
SCHEMBL163440 0.76 SMN1; SMN2 (0.54) ENPP2SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL161899 0.76 DGAT1 (0.51) SMN1; SMN2NPC1RAB9AKDRALDH1A1
SCHEMBL162789 0.75 DGAT1 (0.50) SMN1; SMN2NPC1RAB9AKDRTEK
SCHEMBL159073 0.75 DGAT1 (0.49) SMN1; SMN2NPC1RAB9APKMKDR
SCHEMBL158884 0.75 DDX3X (0.48) TRPV1NPC1RAB9AKDM4EMEN1

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 ENPP2 414/4885TRPV1 2426/4885ROCK1 1909/4885

“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.