SCHEMBL2400848

SCHEMBL2400848

CCCS(=O)(=O)N1CCC2(CC1)CC(C(=O)NCC(C)C)=NO2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 17/20 0.39
ITGB3 P05106 3/20 0.36
ITGB1 P05556 3/20 0.36
ITGAV P06756 3/20 0.36
ITGA2B P08514 3/20 0.36
ITGA5 P08648 3/20 0.36

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
SCHEMBL6410446 0.82 SLC6A9 (0.35) SLC6A9
SCHEMBL2400865 0.82 GAA (0.40) SLC6A9
SCHEMBL2401617 0.77 ITGB3 (0.41) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL2400819 0.75 LMNA (0.43) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL2400895 0.72 POLB (0.46)
SCHEMBL2399133 0.69 AVPR1A (0.45)
SCHEMBL2402442 0.69 FASN (0.41) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL2401328 0.69 GAA (0.34) SLC6A9ITGB3ITGB1ITGAVITGA2B
SCHEMBL2400918 0.68 ALDH1A1 (0.43) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL2403146 0.68 CYP2C19 (0.43)

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 4 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

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 SLC6A9 3823/4885ITGB3 2298/4885ITGB1 2520/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 SLC6A9 4301/4885ITGB3 3411/4885ITGB1 3180/4885

“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.