SCHEMBL2402632

SCHEMBL2402632

O=C(O)C1=NOC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
KMT2A Q03164 3/20 0.62
MAPK1 P28482 2/20 0.62
MEN1 O00255 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CYP2D6 P10635 3/20 0.55
POLB P06746 1/20 0.50
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
CYP3A4 P08684 7/20 0.46
CYP1A2 P05177 5/20 0.46
USP2 O75604 5/20 0.46
CYP2C19 P33261 4/20 0.46
CYP2C9 P11712 4/20 0.46
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALOX15 P16050 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL6416697 0.89 CYP2C19 (0.52) ALDH1A1KMT2AMAPK1MEN1L3MBTL1
SCHEMBL6409630 0.89 ALDH1A1 (0.48) ALDH1A1KMT2AMAPK1MEN1L3MBTL1
SCHEMBL6410300 0.89 SMN1; SMN2 (0.62) ALDH1A1KMT2AMAPK1MEN1L3MBTL1
SCHEMBL15309170 0.87 KMT2A (0.56) ALDH1A1KMT2AMAPK1MEN1L3MBTL1
SCHEMBL6409583 0.86 MAPK1 (0.46) ALDH1A1KMT2AMAPK1MEN1L3MBTL1
SCHEMBL6410958 0.86 PKM (0.52) ALDH1A1KMT2AMEN1L3MBTL1CYP2D6
SCHEMBL6409406 0.86 ALDH1A1 (0.46) ALDH1A1KMT2AMAPK1MEN1L3MBTL1
SCHEMBL6411431 0.85 HTT (0.51) ALDH1A1KMT2AMAPK1MEN1L3MBTL1
SCHEMBL6410522 0.83 MEN1 (0.53) ALDH1A1KMT2AMAPK1MEN1L3MBTL1
SCHEMBL6410502 0.83 MEN1 (0.52) ALDH1A1KMT2AMAPK1MEN1L3MBTL1

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 8 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
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

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 ALDH1A1 412/4885KMT2A 3833/4885MAPK1 4286/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 ALDH1A1 156/4885KMT2A 3636/4885MAPK1 4098/4885

“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.