SCHEMBL670398

SCHEMBL670398

COC(=O)c1cccc(OCC2CCN(c3ccc(N)cn3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.57
SOAT1 P35610 2/20 0.57
CYP3A4 P08684 1/20 0.57
SOAT2 O75908 1/20 0.48
DGAT2 Q96PD7 1/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
DRD4 P21917 1/20 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
SCHEMBL1444238 0.89 DGAT1 (0.68) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL14127722 0.88 DGAT1 (0.57) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10007074 0.88 DGAT1 (0.49) DGAT1SOAT1CYP3A4ADORA2BADORA1
SCHEMBL16661302 0.88 DGAT1 (0.56) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL16661049 0.87 DGAT1 (0.56) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL14127752 0.87 DGAT1 (0.56) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL1443405 0.86 MRGPRX4 (0.49) DGAT1SOAT1CYP3A4NPC1RAB9A
SCHEMBL15626638 0.86 DGAT1 (0.56) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL669645 0.85 DGAT1 (0.54) DGAT1SOAT1CYP3A4SOAT2DGAT2
Potassium Ion SCHEMBL15610648 0.85 DGAT1 (0.54) DGAT1SOAT1CYP3A4SOAT2DGAT2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716312-B2 Inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORPORATION (US) 2014-05-06 US disclosed
EP-2477498-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2012-07-25 EP disclosed
US-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2012-07-05 US disclosed
US-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2012-07-05 US disclosed
US-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2012-07-05 US disclosed
WO-2012024179-A1 SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2012024179-A1 SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
EP-2367598-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-09-28 EP disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
WO-2011031628-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-03-17 WO disclosed
WO-2011031628-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-03-17 WO disclosed
WO-2010059602-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 WO disclosed
WO-2010059602-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 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 (2 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-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT DGAT1 2/4885SOAT1 11/4885CYP3A4 2148/4885
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT DGAT1 2/4885SOAT1 10/4885CYP3A4 1789/4885

“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.