SCHEMBL162142

SCHEMBL162142

O=C(O)CN1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccccc4Cl)cc3)s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 1/20 0.44
CNR1 P21554 1/20 0.44
TEK Q02763 3/20 0.44
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
ITGB1 P05556 2/20 0.41
ITGA4 P13612 2/20 0.41
EPHB4 P54760 1/20 0.41

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
SCHEMBL159317 0.90 DGAT1 (0.56) DGAT1SMN1; SMN2NPC1RAB9ATEK
SCHEMBL162789 0.88 DGAT1 (0.50) DGAT1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL162242 0.87 DGAT1 (0.49) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL164578 0.86 DGAT1 (0.58) DGAT1SMN1; SMN2NPC1RAB9ACNR1
SCHEMBL161895 0.85 DGAT1 (0.72) DGAT1SMN1; SMN2NPC1RAB9ACNR1
SCHEMBL159660 0.85 DGAT1 (0.56) DGAT1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL161173 0.85 DGAT1 (0.57) DGAT1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL164644 0.84 DGAT1 (0.56) DGAT1TRPV1ITGB1ITGA4KDR
SCHEMBL160037 0.84 DGAT1 (0.54) DGAT1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL161965 0.83 DGAT1 (0.44) DGAT1CNR1TRPV1ITGB1ITGA4

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 DGAT1 1/4885SMN1; SMN2 2105/4885NPC1 86/4885

“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.