SCHEMBL595994

SCHEMBL595994

CCOC(=O)C(C)(C)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
POLB P06746 1/20 0.57
ALDH1A1 P00352 6/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 2/20 0.50
ALOX12 P18054 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
NPY2R P49146 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ATM Q13315 1/20 0.46
PKM P14618 1/20 0.45
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
PANK3 Q9H999 1/20 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
SCHEMBL595432 0.85 MAPT (0.65) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL595693 0.83 HPGD (0.45) MAPTL3MBTL1LMNAHPGDKDM4E
SCHEMBL595972 0.83 MAPT (0.69) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL4399381 0.81 MAPT (0.60) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL594389 0.77 MAPT (0.58) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL5210342 0.76 L3MBTL1 (0.64) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL594446 0.75 MAPT (0.61) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL12639913 0.75 L3MBTL1 (0.72) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL29772055 0.75 MAPT (0.52) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL5249138 0.74 MAPT (0.67) MAPTL3MBTL1POLBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8115011-B2 (S)-3-{5-[(1-Pyridin-2-yl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)-amino]-pyridin-2-ylamino}-pyrrolidine-1-carboxylic acid ethyl ester; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-8058299-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 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 (4 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPT 3561/4885L3MBTL1 2602/4885POLB 3563/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPT 3561/4885L3MBTL1 2602/4885POLB 3563/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPT 3561/4885L3MBTL1 2602/4885POLB 3563/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPT 3561/4885L3MBTL1 2602/4885POLB 3563/4885

“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.