SCHEMBL4219645

SCHEMBL4219645

NC1CCC(O[N+](=O)[O-])CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSR P00390 10/20 0.41
CA2 P00918 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.33

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
SCHEMBL4531968 1.00 GSR (0.41) GSRCA2ALDH1A1MAPT
SCHEMBL28921029 0.87
SCHEMBL8957333 0.87 GSR (0.50) GSRCA2ALDH1A1MAPT
SCHEMBL14499693 0.77
SCHEMBL324551 0.77
SCHEMBL9019587 0.76 GSR (0.41) GSRCA2ALDH1A1MAPT
SCHEMBL11060513 0.76 GSR (0.41) GSRCA2ALDH1A1MAPT
SCHEMBL9019582 0.76 GSR (0.41) GSRCA2ALDH1A1MAPT
SCHEMBL9019578 0.76 GSR (0.38) GSRCA2ALDH1A1MAPT
SCHEMBL1774751 0.75 GSR (0.54) GSRCA2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270558-B1 \"Compound for the treatment of atherosclerotic-thrombotic pathological conditions\ CASAGRANDE CESARE (IT) 2007-04-25 EP claimed
US-6525078-B1 Compound for the treatment of atherosclerotic-thrombotic pathological conditions CASAGRANDE CESARE (IT) 2003-02-25 US claimed
EP-1270558-A1 \"Compound for the treatment of atherosclerotic-thrombotic pathological conditions\ Casagrande, Cesare (IT) 2003-01-02 EP claimed
US-20090318432-A1 Nitrate esters of aminoalcohols SPEEDEL EXPERIMENTA AG (CH) 2009-12-24 US disclosed
EP-2061751-A1 NITRATE ESTERS OF AMINOALCOHOLS Novartis Ag (CH) 2009-05-27 EP disclosed
WO-2008031811-A1 NITRATE ESTERS OF AMINOALCOHOLS SPEEDEL EXPERIMENTA AG (CH) 2008-03-20 WO disclosed
EP-1270558-B1 \"Compound for the treatment of atherosclerotic-thrombotic pathological conditions\ CASAGRANDE CESARE (IT) 2007-04-25 EP disclosed
US-6525078-B1 Compound for the treatment of atherosclerotic-thrombotic pathological conditions CASAGRANDE CESARE (IT) 2003-02-25 US disclosed
EP-1270558-A1 \"Compound for the treatment of atherosclerotic-thrombotic pathological conditions\ Casagrande, Cesare (IT) 2003-01-02 EP disclosed
EP-0515420-B1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1996-06-12 EP disclosed
US-5411989-A Cardiovascular disorders BOEHRINGER MANNHEIM, GMBH (DE) 1995-05-02 US disclosed
EP-0515420-A1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES. BOEHRINGER MANNHEIM GMBH (DE) 1992-12-02 EP disclosed
WO-1991012230-A1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1991-08-22 WO disclosed
US-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 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 (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-20090318432-A1 Nitrate esters of aminoalcohols NOS2, NOS1, NOS3 GSR 354/4885CA2 2054/4885ALDH1A1 395/4885

“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.