SCHEMBL2400946

SCHEMBL2400946

CCOc1ccccc1C(=O)N1CCC2(CC1)CC([C]=O)=NO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.56
CHRM2 P08172 1/20 0.53
CHRM3 P20309 1/20 0.53
NOD2 Q9HC29 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 4/20 0.46
TSHR P16473 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL6417790 0.81 NPSR1 (0.53) NPSR1CHRM2CHRM3NOD2HTT
SCHEMBL15309109 0.79 NPSR1 (0.60) NPSR1CHRM2CHRM3NOD2HTT
SCHEMBL2402277 0.78 NPSR1 (0.48) NPSR1CHRM2CHRM3NOD2HTT
SCHEMBL11715064 0.76 NPSR1 (0.81) NPSR1CHRM2CHRM3NOD2HTT
SCHEMBL17502633 0.73 NPSR1 (0.76) NPSR1CHRM2CHRM3NOD2HTT
SCHEMBL1520673 0.72 NPSR1 (1.00) NPSR1CHRM2CHRM3NOD2HTT
SCHEMBL9857776 0.72 NPSR1 (0.71) NPSR1CHRM2CHRM3NOD2HTT
SCHEMBL18051872 0.72 NPSR1 (0.74) NPSR1CHRM2CHRM3NOD2HTT
SCHEMBL17946045 0.68 NPSR1 (0.67) NPSR1CHRM2CHRM3NOD2HTT
SCHEMBL2434051 0.65 NPSR1 (0.53) NPSR1CHRM2CHRM3NOD2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401841-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-03-31 EP claimed
WO-2003000699-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-01-03 WO claimed
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 US disclosed
EP-1401841-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-03-31 EP disclosed
WO-2003000699-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-01-03 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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 NPSR1 2694/4885CHRM2 3335/4885CHRM3 3337/4885

“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.