SCHEMBL2401265

SCHEMBL2401265

CCOC(=O)N1CCC(NC(=O)C2=NOC3(CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)C2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 3/20 0.47
MAPT P10636 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
PCSK9 Q8NBP7 1/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
CTSS P25774 1/20 0.43
RAB9A P51151 1/20 0.43
CNR1 P21554 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL6410200 0.91 KDM4E (0.44) KDM4EHSD17B10GAASMN1; SMN2HTT
SCHEMBL2400764 0.90 CNR1 (0.45) GAASMN1; SMN2HTTMAPTL3MBTL1
SCHEMBL2399309 0.81 KMT2A (0.47) GAAHTTMAPTL3MBTL1KMT2A
SCHEMBL6411431 0.79 HTT (0.51) KDM4EGAASMN1; SMN2HTTL3MBTL1
SCHEMBL2402766 0.78 HTT (0.42) HSD17B10GAASMN1; SMN2HTTMAPT
SCHEMBL6848470 0.78 KDM4E (0.34) KDM4EHSD17B10GAASMN1; SMN2HTT
SCHEMBL2403572 0.78 KMT2A (0.41) GAASMN1; SMN2L3MBTL1KMT2AUSP2
SCHEMBL2400790 0.78 GAA (0.51) GAASMN1; SMN2HTTCYP3A4CYP2C9
SCHEMBL2400775 0.77 CACNA1B (0.43) GAASMN1; SMN2MAPTL3MBTL1KMT2A
SCHEMBL2402512 0.77 EPHX2 (0.49) KDM4EHSD17B10GAASMN1; SMN2HTT

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
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
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

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 KDM4E 67/4885HSD17B10 732/4885GAA 2363/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 KDM4E 356/4885HSD17B10 348/4885GAA 1186/4885

“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.