SCHEMBL2441558

SCHEMBL2441558

O=C(Nc1ccc(N2CCCN(C(=O)C(O)C(F)(F)F)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.69
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL2443019 0.97 DGAT1 (0.73) DGAT1CYP3A4CYP2C9
SCHEMBL2442624 0.92 DGAT1 (0.68) DGAT1CYP3A4CYP2C9
SCHEMBL2442619 0.92 DGAT1 (0.68) DGAT1CYP3A4CYP2C9
SCHEMBL2440663 0.91 DGAT1 (0.74) DGAT1CYP3A4CYP2C9
SCHEMBL2440665 0.91 DGAT1 (0.74) DGAT1CYP3A4CYP2C9
SCHEMBL2445396 0.90 DGAT1 (0.66) DGAT1CYP3A4CYP2C9
SCHEMBL2445393 0.90 DGAT1 (0.66) DGAT1CYP3A4CYP2C9
SCHEMBL2440648 0.89 DGAT1 (0.73) DGAT1CYP3A4CYP2C9
SCHEMBL2446555 0.88 DGAT1 (0.72) DGAT1CYP3A4CYP2C9
SCHEMBL2446558 0.88 DGAT1 (0.72) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376454-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-10-19 EP disclosed
US-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
US-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
WO-2010059611-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-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT DGAT1 2/4885CYP3A4 2154/4885CYP2C9 2412/4885

“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.