SCHEMBL2145686

SCHEMBL2145686

O=C(O)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.62
C1S P09871 1/20 0.41
MLYCD O95822 2/20 0.41
RBP4 P02753 1/20 0.41
LCAT P04180 1/20 0.41
SOAT2 O75908 1/20 0.40
SOAT1 P35610 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 1/20 0.39
HTR2B P41595 1/20 0.39
GRM2 Q14416 1/20 0.39

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
SCHEMBL12246295 0.93 DGAT1 (0.55) DGAT1C1SMLYCDRBP4LCAT
SCHEMBL2145504 0.91 DGAT1 (0.55) DGAT1MLYCDLCATSOAT2SOAT1
SCHEMBL12246277 0.90 DGAT1 (0.52) DGAT1MLYCDRBP4LCATSOAT2
SCHEMBL12246303 0.88 DGAT1 (0.51) DGAT1MLYCDRBP4LCATRXFP1
SCHEMBL2380357 0.87 DGAT1 (0.50) DGAT1MLYCDRBP4RXFP1GRM2
SCHEMBL2145775 0.87 DGAT1 (0.50) DGAT1RBP4LCATTP53
SCHEMBL2145224 0.86 DGAT1 (0.54) DGAT1
SCHEMBL12246291 0.86 DGAT1 (0.49) DGAT1RBP4LCATRXFP1
SCHEMBL2145228 0.86 DGAT1 (0.54) DGAT1
SCHEMBL2145556 0.86 DGAT1 (0.54) DGAT1

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 13 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-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
US-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
US-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
US-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
EP-2346853-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-07-27 EP 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
WO-2010059606-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 WO disclosed
WO-2010059606-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-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT DGAT1 2/4885C1S 4551/4885MLYCD 202/4885
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT DGAT1 2/4885C1S 4224/4885MLYCD 238/4885

“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.