SCHEMBL6409406

SCHEMBL6409406

O=C(O)C1=NOC2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
HSP90AA1 P07900 1/20 0.46
FAAH O00519 3/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.43
HSD11B1 P28845 1/20 0.42
MGLL Q99685 1/20 0.42
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 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
SCHEMBL2402632 0.86 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL6411638 0.86 L3MBTL1 (0.57) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL6410300 0.85 SMN1; SMN2 (0.62) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL6409630 0.85 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL6416697 0.85 CYP2C19 (0.52) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL6409410 0.84 FAAH (0.48) ALDH1A1KMT2AHSP90AA1FAAHMEN1
SCHEMBL6410958 0.82 PKM (0.52) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL6410522 0.80 MEN1 (0.53) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL2400765 0.80 THRB (0.51) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL25332920 0.79 SMN1; SMN2 (0.67) ALDH1A1KMT2AHSP90AA1MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-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 3833/4885HSP90AA1 1473/4885

“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.