SCHEMBL6409630

SCHEMBL6409630

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
PKM P14618 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.44
MGLL Q99685 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
HTR2A P28223 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
SCHEMBL2402632 0.89 ALDH1A1 (0.62) ALDH1A1L3MBTL1MEN1MAPK1KMT2A
SCHEMBL6410300 0.88 SMN1; SMN2 (0.62) ALDH1A1L3MBTL1MEN1MAPK1KMT2A
SCHEMBL6416697 0.88 CYP2C19 (0.52) ALDH1A1L3MBTL1MEN1MAPK1KMT2A
SCHEMBL6410502 0.86 MEN1 (0.52) ALDH1A1L3MBTL1MEN1MAPK1KMT2A
SCHEMBL6409406 0.85 ALDH1A1 (0.46) ALDH1A1L3MBTL1MEN1MAPK1KMT2A
SCHEMBL6410958 0.85 PKM (0.52) ALDH1A1L3MBTL1MEN1KMT2APKM
SCHEMBL6410522 0.85 MEN1 (0.53) ALDH1A1L3MBTL1MEN1MAPK1KMT2A
SCHEMBL6409984 0.83 SMN1; SMN2 (0.46) ALDH1A1MAPK1SMN1; SMN2KDM4EHTT
SCHEMBL6410874 0.83 PKM (0.46) ALDH1A1L3MBTL1MEN1MAPK1KMT2A
SCHEMBL2400977 0.80 ALDH1A1 (0.48) ALDH1A1L3MBTL1MEN1MAPK1KMT2A

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
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 (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 412/4885L3MBTL1 4868/4885MEN1 2802/4885

“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.