SCHEMBL4399381

SCHEMBL4399381

CCOC(=O)CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
POLB P06746 1/20 0.59
ALDH1A1 P00352 5/20 0.52
LMNA P02545 2/20 0.52
ALOX12 P18054 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPK1 P28482 2/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
NPY2R P49146 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ATM Q13315 1/20 0.48
DGAT1 O75907 2/20 0.47
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PANK3 Q9H999 1/20 0.45

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
SCHEMBL596528 0.89 MAPT (0.62) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL4389301 0.85 MAPT (0.46) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL595972 0.84 MAPT (0.69) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL29772055 0.84 MAPT (0.52) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL16984992 0.84 L3MBTL1 (0.46) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL3542849 0.84 MAPT (0.64) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL3542851 0.84 MAPT (0.64) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL4399969 0.83 MAPT (0.70) MAPTPOLBALDH1A1LMNAMAPK1
SCHEMBL29772093 0.83 MAPT (0.50) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL24880628 0.82 DGAT1 (0.49) L3MBTL1ALDH1A1HPGDKMT2ADGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014140241-A1 PYRIDINE DERIVATIVES AS DGAT-1 INHIBITORS INTERVET INTERNATIONAL B.V. (NL) 2014-09-18 WO disclosed
WO-2014140241-A1 PYRIDINE DERIVATIVES AS DGAT-1 INHIBITORS INTERVET INTERNATIONAL B.V. (NL) 2014-09-18 WO disclosed
US-8772494-B2 N-aryl piperidine substituted biphenylcarboxamides as inhibitors of apolipoprotein b JANSSEN PHARMACEUTICA N.V. (BE) 2014-07-08 US disclosed
US-8772494-B2 N-aryl piperidine substituted biphenylcarboxamides as inhibitors of apolipoprotein b JANSSEN PHARMACEUTICA N.V. (BE) 2014-07-08 US disclosed
US-8258304-B2 N-aryl piperidine substituted biphenylcarboxamides JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-04 US disclosed
US-20090156623-A1 N-ARYL PIPERIDINE SUBSTITUTED BIPHENYLCARBOXAMIDES MEERPOEL LIEVEN 2009-06-18 US disclosed
EP-1536796-B1 N-ARYL PIPERIDINE SUBSTITUTED BIPHENYLCARBOXAMIDES AS INHIBITORS OF APOLIPOPROTEIN B SECRETION JANSSEN PHARMACEUTICA NV (BE) 2008-02-13 EP disclosed
US-20070099934-A1 N-aryl piperidine substituted biphenylcarboxamides as inhibitors of apolipoprotein b JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20070099934-A1 N-aryl piperidine substituted biphenylcarboxamides as inhibitors of apolipoprotein b JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20060040989-A1 N-aryl piperidine substituted biphenylcarboxamides as inhibitors of apolipoprotein b secretion JANSSEN PHARMACEUTICA, N.V. (BE) 2006-02-23 US 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 (3 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-20090156623-A1 N-ARYL PIPERIDINE SUBSTITUTED BIPHENYLCARBOXAMIDES LIPC, PNLIP, GPR119 MAPT 4498/4885L3MBTL1 4535/4885POLB 2689/4885
US-20070099934-A1 N-aryl piperidine substituted biphenylcarboxamides as inhibitors of apolipoprotein b APOB, PNLIP, LIPC MAPT 4151/4885L3MBTL1 4022/4885POLB 876/4885
US-20060040989-A1 N-aryl piperidine substituted biphenylcarboxamides as inhibitors of apolipoprotein b secretion APOB, PNLIP, LPL MAPT 4272/4885L3MBTL1 4314/4885POLB 1402/4885

“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.