SCHEMBL4219641

SCHEMBL4219641

NC(=O)C1CCC(O[N+](=O)[O-])CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSR P00390 9/20 0.41
GAA P10253 1/20 0.37
CA2 P00918 3/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 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
SCHEMBL2012678 0.82 GSR (0.42) GSRCA2ALDH1A1LMNAMAPT
SCHEMBL23927596 0.82 GSR (0.42) GSRCA2ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL9129504 0.80 GSR (0.41) GSRCA2ALDH1A1LMNAMAPT
SCHEMBL8957333 0.80 GSR (0.50) GSRCA2ALDH1A1MAPT
SCHEMBL28921029 0.80
SCHEMBL13339192 0.77 MAPT (0.43) GSRGAAMAPTSMN1; SMN2POLB
SCHEMBL2011707 0.77 MAPT (0.43) GSRGAAMAPTSMN1; SMN2POLB
SCHEMBL10157948 0.76 GSR (0.37) GSRCA2MAPT
SCHEMBL9499598 0.76 BCHE (0.38) GSRCA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3490659 0.74 GSR (0.39) GSRCA2ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5411989-A Cardiovascular disorders BOEHRINGER MANNHEIM, GMBH (DE) 1995-05-02 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 354/4885GAA 3099/4885CA2 2054/4885

“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.