SCHEMBL163541

SCHEMBL163541

O=C(Nc1ccc(-c2cnc(C3CCC(C(=O)O)CC3)s2)cc1)Nc1ccc(Cl)cc1Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.61
P2RY1 P47900 1/20 0.52
CSGALNACT1 Q8TDX6 1/20 0.47
CNR1 P21554 1/20 0.45
IDO1 P14902 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
CDK8 P49336 1/20 0.39
GRIK1 P39086 1/20 0.38

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
SCHEMBL161803 0.93 DGAT1 (0.61) DGAT1P2RY1CSGALNACT1CNR1IDO1
SCHEMBL163542 0.89 DGAT1 (0.58) DGAT1P2RY1CSGALNACT1CNR1IDO1
SCHEMBL159426 0.86 DGAT1 (0.59) DGAT1CNR1MAPT
SCHEMBL162780 0.85 DGAT1 (0.61) DGAT1CSGALNACT1CNR1MAPTKDR
SCHEMBL161415 0.84 DGAT1 (0.58) DGAT1CNR1MAPT
SCHEMBL162338 0.84 DGAT1 (0.54) DGAT1CNR1MAPTGRIK1
SCHEMBL161374 0.84 DGAT1 (0.58) DGAT1CNR1MAPTBRAFKDR
SCHEMBL161895 0.84 DGAT1 (0.72) DGAT1CNR1MAPTKDR
SCHEMBL170873 0.83 DGAT1 (0.51) DGAT1CNR1
SCHEMBL161973 0.82 DGAT1 (0.69) DGAT1CNR1KDR

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 1/4885P2RY1 1922/4885CSGALNACT1 750/4885

“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.