SCHEMBL2791114

SCHEMBL2791114

COC1CCN(c2ccc([N+](=O)[O-])cn2)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.66
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
POLB P06746 1/20 0.58
ALDH1A1 P00352 4/20 0.57
LMNA P02545 1/20 0.57
ALOX12 P18054 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ATM Q13315 1/20 0.52
NPY2R P49146 1/20 0.47
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
ADRA1A P35348 1/20 0.46
CRBN Q96SW2 3/20 0.46
CA12 O43570 2/20 0.43

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
SCHEMBL3208590 1.00 MAPT (0.66) MAPTMAPK1L3MBTL1POLBALDH1A1
SCHEMBL26640038 0.92 MAPT (0.73) MAPTMAPK1L3MBTL1POLBALDH1A1
SCHEMBL30615514 0.89 MAPT (0.60) MAPTMAPK1L3MBTL1POLBALDH1A1
SCHEMBL2790216 0.89 MAPT (0.60) MAPTMAPK1L3MBTL1POLBALDH1A1
SCHEMBL29739592 0.83 MAPT (0.84) MAPTMAPK1L3MBTL1POLBALDH1A1
SCHEMBL594551 0.81 POLB (0.65) MAPTMAPK1L3MBTL1POLBALDH1A1
SCHEMBL4879305 0.80 MAPT (0.67) MAPTMAPK1L3MBTL1POLBALDH1A1
SCHEMBL2791934 0.80 MAPT (0.67) MAPTMAPK1L3MBTL1POLBALDH1A1
SCHEMBL14658578 0.80 MAPT (0.67) MAPTMAPK1L3MBTL1POLBALDH1A1
SCHEMBL27925369 0.80 MAPT (0.54) MAPTMAPK1L3MBTL1POLBALDH1A1

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-1963313-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) MADRIGAL PHARMACEUTICALS INC (US) 2012-11-14 EP disclosed
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. 2010-07-29 US disclosed
US-20100168419-A1 Diacylglycerol Acyltransferase Inhibitors BOLIN DAVID ROBERT 2010-07-01 US disclosed
US-7714126-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2010-05-11 US disclosed
EP-1963313-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP disclosed
WO-2007060140-A2 INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE (DGAT) F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 WO disclosed
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. 2007-05-31 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-20100168419-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPT 3561/4885MAPK1 1790/4885L3MBTL1 2602/4885
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT2, DGAT1, LCAT MAPT 3561/4885MAPK1 1790/4885L3MBTL1 2602/4885
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT MAPT 3561/4885MAPK1 1790/4885L3MBTL1 2602/4885

“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.