SCHEMBL2400766

SCHEMBL2400766

CCOC(=O)CCNC(=O)C1=NOC2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
EPHX2 P34913 1/20 0.41
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TNF P01375 1/20 0.37
RAB9A P51151 1/20 0.37
NOD1 Q9Y239 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MITF O75030 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2404605 0.87 L3MBTL1 (0.47) L3MBTL1LMNAEPHX2MAPTSMN1; SMN2
SCHEMBL2402512 0.85 EPHX2 (0.49) L3MBTL1LMNATDP1EPHX2MAPT
SCHEMBL6411638 0.83 L3MBTL1 (0.57) L3MBTL1LMNAEPHX2MAPTSMN1; SMN2
SCHEMBL6412521 0.83 EPHX2 (0.47) L3MBTL1LMNATDP1EPHX2MAPT
SCHEMBL2400381 0.79 EPHX2 (0.51) L3MBTL1LMNATDP1EPHX2MAPT
SCHEMBL6411644 0.76 L3MBTL1 (0.53) L3MBTL1LMNATDP1EPHX2MAPT
SCHEMBL6411508 0.76 L3MBTL1 (0.45) L3MBTL1LMNATDP1EPHX2MAPT
SCHEMBL2402246 0.75 TP53 (0.41) LMNAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL2404658 0.74 POLB (0.41) LMNAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL2401305 0.72 MLYCD (0.37) EPHX2SMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557796-B2 Substituted 1-oxa-2,8-diaza-spiro [4,5] dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2013-10-15 US claimed
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 claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 US claimed
US-8557796-B2 Substituted 1-oxa-2,8-diaza-spiro [4,5] dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2013-10-15 US disclosed
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-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 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 (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-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods SULT1E1, CYP4B1, CYP3A4 L3MBTL1 4868/4885LMNA 2583/4885TDP1 3897/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 L3MBTL1 4865/4885LMNA 1973/4885TDP1 3570/4885

“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.