SCHEMBL2399309

SCHEMBL2399309

O=C(NCC1CC1)C1=NOC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CNR1 P21554 1/20 0.45
USP5 P45974 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 1/20 0.42
ITGA5 P08648 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41

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
SCHEMBL6409450 0.87 KMT2A (0.46) KMT2AL3MBTL1CNR1MEN1GAA
SCHEMBL6411431 0.84 HTT (0.51) KMT2AL3MBTL1CNR1MEN1GAA
SCHEMBL2400386 0.84 KMT2A (0.47) KMT2AL3MBTL1CNR1MEN1GAA
SCHEMBL2402766 0.83 HTT (0.42) KMT2AL3MBTL1MEN1GAAHTT
SCHEMBL2400764 0.83 CNR1 (0.45) KMT2AL3MBTL1CNR1MEN1GAA
SCHEMBL2401265 0.81 KDM4E (0.53) KMT2AL3MBTL1CNR1GAAHTT
SCHEMBL2400790 0.81 GAA (0.51) KMT2AL3MBTL1CNR1MEN1GAA
SCHEMBL15309168 0.80 SMN1; SMN2 (0.45) KMT2AL3MBTL1MEN1GAAHTT
SCHEMBL6410200 0.79 KDM4E (0.44) KMT2AL3MBTL1CNR1GAAHTT
SCHEMBL2401367 0.79 TSHR (0.46) KMT2AUSP5MEN1GAAHTT

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 KMT2A 3833/4885L3MBTL1 4868/4885CNR1 2492/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 KMT2A 3636/4885L3MBTL1 4865/4885CNR1 1593/4885

“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.