SCHEMBL4048969

SCHEMBL4048969

CC(C)(C)OC(=O)NC1CCC(OC(=O)c2ccc(CO[N+](=O)[O-])cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.46
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42
DRD2 P14416 3/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CACNA1B Q00975 3/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAMPT P43490 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL8292798 0.85 PTPN2 (0.55) DRD2KDM1AMAOBKMT2APTPN2
SCHEMBL14612114 0.85 PTPN2 (0.55) DRD2KDM1AMAOBKMT2APTPN2
SCHEMBL4056141 0.82 TMEM97 (0.48) TMEM97CA12CA1CA2CA4
SCHEMBL2960876 0.81 SCN1A (0.52) DRD2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL2960874 0.81 SCN1A (0.52) DRD2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL4269074 0.80 CACNA1B (0.48) DRD2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL4269079 0.80 CACNA1B (0.48) DRD2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL5664879 0.79 KDM1A (0.45) CA1CA2KDM1AMAOBKMT2A
SCHEMBL5664883 0.79 KDM1A (0.45) CA1CA2KDM1AMAOBKMT2A
SCHEMBL20956201 0.79 POLB (0.54) DRD2KDM1AMAOBKMT2APTPN2

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 3 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

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 TMEM97 1514/4885CA12 3887/4885CA1 4310/4885

“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.