SCHEMBL2401322

SCHEMBL2401322

CC(NC(=O)C1=NOC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
KMT2A Q03164 1/20 0.40
CACNA1B Q00975 3/20 0.40
HSD11B1 P28845 1/20 0.39
CNR1 P21554 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL15309168 0.81 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1KMT2ACACNA1BGAA
SCHEMBL2403568 0.81 NAMPT (0.42) NAMPTCYP2C9SMN1; SMN2KMT2ACNR1
SCHEMBL6411431 0.79 HTT (0.51) SMN1; SMN2KDM4EL3MBTL1EPHX2KMT2A
SCHEMBL2400775 0.79 CACNA1B (0.43) SMN1; SMN2L3MBTL1KMT2ACACNA1BGAA
SCHEMBL2401324 0.79 KDM4E (0.43) NAMPTKDM4EL3MBTL1KMT2ACACNA1B
SCHEMBL2399309 0.77 KMT2A (0.47) L3MBTL1KMT2ACNR1GAALMNA
SCHEMBL2400764 0.75 CNR1 (0.45) SMN1; SMN2L3MBTL1KMT2ACACNA1BCNR1
SCHEMBL2400386 0.74 KMT2A (0.47) L3MBTL1KMT2ACNR1GAALMNA
SCHEMBL2580532 0.74 LMNA (0.43) KDM4EL3MBTL1KMT2AGAALMNA
SCHEMBL2402766 0.74 HTT (0.42) SMN1; SMN2L3MBTL1KMT2ACACNA1BGAA

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
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
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
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 NAMPT 1402/4885CYP2C9 59/4885SMN1; SMN2 1584/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 NAMPT 1302/4885CYP2C9 50/4885SMN1; SMN2 1407/4885

“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.