SCHEMBL2399313

SCHEMBL2399313

CN(C)S(=O)(=O)N1CCC2(CC1)CC(C(=O)NC(Cc1ccccc1)C(=O)OC(C)(C)C)=NO2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.51
MAPT P10636 7/20 0.45
POLB P06746 4/20 0.45
TDP1 Q9NUW8 4/20 0.45
HCRTR1 O43613 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 4/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
PAX8 Q06710 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
SCHEMBL2400415 0.79 MEN1 (0.46) GAAMEN1KMT2AALDH1A1
SCHEMBL2400978 0.74 PKM (0.42) MAPTPOLBTDP1NPSR1MEN1
SCHEMBL2400743 0.73 ALDH1A1 (0.49) MAPTPOLBGAAMEN1MAPK1
SCHEMBL2404900 0.72 ALDH1A1 (0.47) MAPTPOLBGAAMEN1MAPK1
SCHEMBL2400325 0.71 GPR119 (0.54) MAPTTDP1NPSR1MEN1KMT2A
SCHEMBL2405020 0.71 MEN1 (0.48) MEN1MAPK1KMT2AALDH1A1
SCHEMBL2401314 0.70 NPSR1 (0.43) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL2579196 0.69 ALDH1A1 (0.45) MAPTPOLBGAAMEN1MAPK1
SCHEMBL2400830 0.68 P2RX7 (0.40) HCRTR1GAAALDH1A1
SCHEMBL2401328 0.68 GAA (0.34) GAAMEN1KMT2AALDH1A1

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 13 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
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-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 MLYCD 1510/4885MAPT 4329/4885POLB 3316/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 MLYCD 1077/4885MAPT 3594/4885POLB 1636/4885

“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.