SCHEMBL670183

SCHEMBL670183

COC(=O)c1cccc(OCC2CCN(c3ncc([N+](=O)[O-])cn3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
DGAT1 O75907 8/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 1/20 0.45
SOAT1 P35610 1/20 0.45
SCN9A Q15858 2/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
OPRK1 P41145 1/20 0.42
MAOB P27338 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL669645 0.89 DGAT1 (0.54) MAPTDGAT1MEN1ALDH1A1POLB
SCHEMBL1443669 0.87 MAPT (0.53) MAPTMEN1ALDH1A1POLBKMT2A
SCHEMBL10007074 0.86 DGAT1 (0.49) DGAT1ALDH1A1CYP3A4SOAT1SCN9A
SCHEMBL10112852 0.78 DGAT1 (0.64) MAPTDGAT1MEN1ALDH1A1POLB
SCHEMBL20190433 0.78 NR1H4 (0.60) POLB
SCHEMBL15626596 0.77 DGAT1 (0.55) DGAT1MEN1POLBKMT2ACYP3A4
SCHEMBL670398 0.77 DGAT1 (0.57) DGAT1KMT2ACYP3A4SOAT1DRD4
SCHEMBL14127722 0.77 DGAT1 (0.57) DGAT1KMT2ACYP3A4SOAT1DRD4
SCHEMBL16661049 0.76 DGAT1 (0.56) DGAT1CYP3A4SOAT1
SCHEMBL1443405 0.76 MRGPRX4 (0.49) DGAT1MEN1ALDH1A1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477498-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2012-07-25 EP disclosed
US-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2012-07-05 US disclosed
US-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2012-07-05 US disclosed
WO-2012024179-A1 SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2012024179-A1 SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2011031628-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-03-17 WO disclosed
WO-2011031628-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-03-17 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-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT MAPT 2822/4885DGAT1 2/4885MEN1 4417/4885

“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.