SCHEMBL2401332

SCHEMBL2401332

CN(C)S(=O)(=O)N1CCC2(CC1)CC(C(=O)N1CCN(c3ncnc4sccc34)CC1)=NO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
GALR3 O60755 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
STAT3 P40763 6/20 0.41
NR2F2 P24468 3/20 0.41
HRH1 P35367 1/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.39
HTR2C P28335 1/20 0.39
PEAK1 Q9H792 1/20 0.38
P2RY12 Q9H244 2/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.35
NCOA1 Q15788 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2400843 0.83 STAT3 (0.44) HTTSMN1; SMN2NPC1GALR3GAA
SCHEMBL6785046 0.77 STAT3 (0.38) HTTSMN1; SMN2NPC1GALR3GAA
SCHEMBL2400001 0.71 HRH3 (0.42) SMN1; SMN2GAAPKMALDH1A1L3MBTL1
SCHEMBL2400846 0.69 MEN1 (0.45) SMN1; SMN2STAT3MEN1ALDH1A1TSHR
SCHEMBL14276917 0.69 HTT (0.63) HTTSMN1; SMN2NPC1GALR3GAA
SCHEMBL2399115 0.69 SMN1; SMN2 (0.38) HTTSMN1; SMN2GAAMEN1ALDH1A1
SCHEMBL28322311 0.69 MEN1 (0.64) HTTSMN1; SMN2NPC1GALR3GAA
SCHEMBL17080821 0.66 KIT (0.56) HTTSMN1; SMN2NPC1GAARAB9A
SCHEMBL2404691 0.66 PKM (0.46) HTTSMN1; SMN2NPC1GAAPKM
SCHEMBL12789895 0.64 MEN1 (0.71) HTTSMN1; SMN2NPC1GAAPKM

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 9 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
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 (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 HTT 3006/4885SMN1; SMN2 1584/4885NPC1 2236/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 HTT 2094/4885SMN1; SMN2 1407/4885NPC1 1644/4885

“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.