SCHEMBL2402487

SCHEMBL2402487

O=C(C1=NOC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1)N1CCN(C2CCCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 6/20 0.44
HRH3 Q9Y5N1 2/20 0.44
MAPK1 P28482 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTT P42858 1/20 0.44
MBTD1 Q05BQ5 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
CYP3A4 P08684 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6409521 0.82 KMT2A (0.54) MEN1KMT2AALDH1A1MAPK1HTT
SCHEMBL2400001 0.80 HRH3 (0.42) KDM4EGAAL3MBTL1KMT2AALDH1A1
SCHEMBL6412015 0.79 ALDH1A1 (0.51) GAAL3MBTL1ALDH1A1LMNA
SCHEMBL6409630 0.79 ALDH1A1 (0.48) KDM4EGAAL3MBTL1MEN1KMT2A
SCHEMBL2399286 0.78 TGM2 (0.49) GAAALDH1A1
SCHEMBL2581274 0.77 F13A1 (0.46) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL6415538 0.75 ALDH1A1 (0.44) GAAL3MBTL1ALDH1A1HTTLMNA
SCHEMBL6410874 0.72 PKM (0.46) KDM4EGAAL3MBTL1MEN1KMT2A
SCHEMBL2843040 0.72 HRH3 (0.62) KDM4EGAAL3MBTL1ALDH1A1HRH3
SCHEMBL2399292 0.71 POLB (0.49) L3MBTL1MEN1KMT2AALDH1A1HTT

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 KDM4E 67/4885GAA 2363/4885L3MBTL1 4868/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 KDM4E 356/4885GAA 1186/4885L3MBTL1 4865/4885

“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.