SCHEMBL2145685

SCHEMBL2145685

COc1ccccc1C1CCCN(c2nc(C(F)(F)F)c(C(=O)O)o2)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PROKR1 Q8TCW9 4/20 0.43
GSK3B P49841 1/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL2145146 0.88 MEN1 (0.50) DGAT1MEN1KMT2A
SCHEMBL2145392 0.86 DGAT1 (0.45) DGAT1PROKR1
SCHEMBL2145224 0.85 DGAT1 (0.54) DGAT1
SCHEMBL2145228 0.85 DGAT1 (0.54) DGAT1
SCHEMBL2145556 0.85 DGAT1 (0.54) DGAT1
SCHEMBL2145708 0.84 ALDH1A1 (0.44) DGAT1PROKR1DRD2DRD1DRD4
SCHEMBL2145954 0.81 DGAT1 (0.48) DGAT1PROKR1
SCHEMBL2145318 0.81 DGAT1 (0.45) DGAT1MEN1KMT2APROKR1
SCHEMBL2145499 0.79 DGAT1 (0.45) DGAT1PROKR1DRD2DRD1DRD4
SCHEMBL12246295 0.79 DGAT1 (0.55) 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 6 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
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 2/4885MEN1 4395/4885KMT2A 730/4885

“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.