SCHEMBL2145860

SCHEMBL2145860

COc1cccc(C2CCN(c3nc(C(F)(F)F)c(C(=O)O)o3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.49
MAPT P10636 3/20 0.45
DRD2 P14416 1/20 0.43
NR3C1 P04150 1/20 0.41
NR3C2 P08235 1/20 0.41
LCAT P04180 1/20 0.41
S1PR1 P21453 1/20 0.41
CHRM4 P08173 1/20 0.41
CCR2 P41597 2/20 0.40
KCNH2 Q12809 1/20 0.40
USP5 P45974 1/20 0.40
HTR2C P28335 2/20 0.40
TP53 P04637 2/20 0.40
CCR1 P32246 1/20 0.40
RBP4 P02753 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
SCHEMBL2145775 0.88 DGAT1 (0.50) DGAT1MAPTDRD2LCATTP53
SCHEMBL12246303 0.87 DGAT1 (0.51) DGAT1DRD2LCATUSP5RBP4
SCHEMBL2145686 0.86 DGAT1 (0.62) DGAT1LCATTP53RBP4
SCHEMBL2145146 0.81 MEN1 (0.50) DGAT1MAPTCHRM4RBP4
SCHEMBL12246277 0.81 DGAT1 (0.52) DGAT1LCATRBP4
SCHEMBL12246295 0.79 DGAT1 (0.55) DGAT1LCATRBP4
SCHEMBL12246291 0.78 DGAT1 (0.49) DGAT1LCATRBP4
SCHEMBL2145708 0.77 ALDH1A1 (0.44) DGAT1MAPTDRD2TP53
SCHEMBL2380357 0.77 DGAT1 (0.50) DGAT1CHRM4RBP4
SCHEMBL2145499 0.76 DGAT1 (0.45) DGAT1DRD2LCAT

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 2/4885MAPT 2177/4885DRD2 1364/4885

“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.