SCHEMBL2145846

SCHEMBL2145846

O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1cnc(N2CCCCC2)s1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 17/20 0.63
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
TRPV1 Q8NER1 1/20 0.48
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL2145764 0.84 DGAT1 (0.71) DGAT1CYP3A4CYP2C9
SCHEMBL2145201 0.77 DGAT1 (1.00) DGAT1CYP3A4CYP2C9
SCHEMBL2381010 0.77 DGAT1 (1.00) DGAT1CYP3A4CYP2C9
SCHEMBL1443609 0.77 DGAT1 (1.00) DGAT1TRPV1
SCHEMBL10113239 0.77 DGAT1 (0.71) DGAT1CYP3A4CYP2C9TRPV1KCNQ3
SCHEMBL4735305 0.77 HDAC3 (0.56) CYP3A4CYP2C9KCNQ3KCNQ2KDM4E
SCHEMBL10007264 0.77 DGAT1 (0.71) DGAT1CYP3A4CYP2C9TRPV1
SCHEMBL2145417 0.76 DGAT1 (0.65) DGAT1CYP3A4CYP2C9TRPV1
SCHEMBL10113578 0.76 DGAT1 (0.67) DGAT1CYP3A4CYP2C9TRPV1
SCHEMBL2381515 0.76 DGAT1 (0.98) 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.