SCHEMBL6153871

SCHEMBL6153871

[O-][N+](=Cc1ccc(OCc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.48
CNR2 P34972 2/20 0.48
EPHX2 P34913 8/20 0.47
GSK3B P49841 1/20 0.44
BACE1 P56817 1/20 0.44
PTPN1 P18031 2/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MMP3 P08254 1/20 0.43
MMP13 P45452 1/20 0.43
LCK P06239 1/20 0.42
PPARG P37231 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL6154988 0.82 CNR2 (0.44) CNR2EPHX2BACE1POLBMAOB
SCHEMBL6153767 0.78 LCK (0.42) FAAHCNR2EPHX2GSK3BBACE1
SCHEMBL6153862 0.75 LCK (0.47) GSK3BBACE1PTPN1HPGDPOLB
SCHEMBL13620471 0.74 LMNA (0.51) GSK3BBACE1MAOAMAOBLCK
SCHEMBL6154957 0.73 GAA (0.48) GSK3BBACE1PTPN1HPGDPOLB
SCHEMBL6154081 0.73 LCK (0.45) GSK3BBACE1PTPN1HPGDPOLB
SCHEMBL6155350 0.72 KDM4E (0.48) GSK3BBACE1PTPN1HPGDPOLB
SCHEMBL6154828 0.72 KDM4E (0.48) GSK3BBACE1PTPN1HPGDPOLB
SCHEMBL6091480 0.71 GSK3B (0.61) FAAHCNR2EPHX2GSK3BBACE1
SCHEMBL6154339 0.70 LCK (0.48) GSK3BBACE1MAOAMAOBLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1025079-B1 $g(a)-ARYL-$i(N)-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME RENOVIS INC (US) 2005-02-02 EP claimed
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same RENOVIS, INC. 2003-05-08 US claimed
CN-1281432-A alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing them CENTAUR PHARMACEUTICALS INC (US) 2001-01-24 CN claimed
US-20050124691-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same KELLEHER JUDITH A (US) 2005-06-09 US disclosed
EP-1025079-B1 $g(a)-ARYL-$i(N)-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME RENOVIS INC (US) 2005-02-02 EP disclosed
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same RENOVIS, INC. 2003-05-08 US disclosed
US-6441032-B1 TREATING SYSTEMIC LUPIS AND MULTIPLE SCLEROSIS CENTAUR PHARMACEUTICALS, INC. 2002-08-27 US disclosed
US-6433008-B1 TREATING PARKINSON*S, ALZHEIMER*S, AUTOIMMUNE AND RHEUMATIC DISEASES; HUMAN IMMUNODEFICIENCY VIRUS (HIV) DEMENTIA, AND INFLAMMATION CENTAUR PHARMACEUTICALS, INC. 2002-08-13 US disclosed
CN-1281432-A alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing them CENTAUR PHARMACEUTICALS INC (US) 2001-01-24 CN disclosed
US-6046232-A THERAPEUTICS FOR TREATING AND/OR PREVENTING NEUROLOGICAL, AUTOIMMUNE AND INFLAMMATORY CONDITIONS IN MAMMALS AND AS ANALYTICAL REAGENTS FOR DETECTING FREE RADICALS CENTAUR PHARMACEUTICALS, INC. (US) 2000-04-04 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 (2 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-20050124691-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA FAAH 746/4885CNR2 254/4885EPHX2 2287/4885
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA FAAH 622/4885CNR2 211/4885EPHX2 2219/4885

“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.