SCHEMBL2400830

SCHEMBL2400830

CN(C)S(=O)(=O)N1CCC2(CC1)CC(C(=O)NCc1ccc(C(F)(F)F)c(F)c1)=NO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.40
GPR119 Q8TDV5 2/20 0.37
KCNH2 Q12809 3/20 0.37
PTGER4 P35408 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TRPV1 Q8NER1 3/20 0.33
KIF11 P52732 1/20 0.33
OPRM1 P35372 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL6409891 0.86 P2RX7 (0.38) P2RX7GPR119KCNH2PTGER4PPARG
SCHEMBL2579293 0.81 EPHX2 (0.40) P2RX7GPR119NPC1RAB9AALDH1A1
SCHEMBL2401314 0.76 NPSR1 (0.43) NPC1RAB9AALDH1A1LMNACYP3A4
SCHEMBL2400415 0.75 MEN1 (0.46) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL2585675 0.73 ALDH1A1 (0.46) P2RX7NPC1RAB9AALDH1A1LMNA
SCHEMBL2404700 0.72 GFER (0.47) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL2401328 0.72 GAA (0.34) GPR119NPC1RAB9AALDH1A1LMNA
SCHEMBL2400386 0.70 KMT2A (0.47) ALDH1A1LMNAGAAL3MBTL1CYP3A4
SCHEMBL5121677 0.70 LMNA (0.41) GPR119ALDH1A1LMNAGAAL3MBTL1
SCHEMBL2401742 0.69 GPR183 (0.40) GPR119NAMPT

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-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-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
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 P2RX7 1120/4885GPR119 628/4885KCNH2 1813/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 P2RX7 1853/4885GPR119 883/4885KCNH2 1688/4885

“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.