SCHEMBL2145996

SCHEMBL2145996

O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(N2CCC(c3ccccc3F)CC2)nc1C(F)(F)F

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.81
CYP3A4 P08684 1/20 0.70
CYP2C9 P11712 1/20 0.70

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
SCHEMBL2145689 0.96 DGAT1 (0.77) DGAT1CYP3A4CYP2C9
SCHEMBL2145119 0.94 DGAT1 (0.77) DGAT1CYP3A4CYP2C9
SCHEMBL2150652 0.93 DGAT1 (0.75) DGAT1CYP3A4CYP2C9
SCHEMBL2145524 0.93 DGAT1 (0.81) DGAT1CYP3A4CYP2C9
SCHEMBL2395214 0.93 DGAT1 (0.81) DGAT1CYP3A4CYP2C9
SCHEMBL12299019 0.92 DGAT1 (0.80) DGAT1CYP3A4CYP2C9
SCHEMBL2145777 0.92 DGAT1 (0.79) DGAT1CYP3A4CYP2C9
SCHEMBL2145511 0.91 DGAT1 (0.83) DGAT1CYP3A4CYP2C9
SCHEMBL2145593 0.91 DGAT1 (0.83) DGAT1CYP3A4CYP2C9
SCHEMBL2145554 0.91 DGAT1 (0.78) DGAT1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT DGAT1 2/4885CYP3A4 2040/4885CYP2C9 2300/4885

“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.