SCHEMBL2405022

SCHEMBL2405022

O=C(C1=NOC2(CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1)N(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
PRCP P42785 1/20 0.40
CHRM5 P08912 1/20 0.40
LIPE Q05469 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX2 P34913 1/20 0.38
DAGLA Q9Y4D2 2/20 0.38
DAGLB Q8NCG7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GBA1 P04062 1/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37

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
SCHEMBL6410109 0.88 MEN1 (0.45) MEN1KMT2ACRHBPCRHR2OPRM1
SCHEMBL2400746 0.87 CRHBP (0.52) MEN1KMT2ACRHBPCRHR2OPRM1
SCHEMBL2402061 0.81 KMT2A (0.45) MEN1KMT2AOPRM1PRCPLIPE
SCHEMBL6410522 0.81 MEN1 (0.53) MEN1KMT2APRCPLIPEEPHX2
SCHEMBL6851497 0.81 OPRM1 (0.41) MEN1KMT2ACRHBPCRHR2OPRM1
SCHEMBL2404849 0.80 MEN1 (0.42) MEN1KMT2APRCPLIPEEPHX2
SCHEMBL2405020 0.80 MEN1 (0.48) MEN1KMT2APRCPLIPEEPHX2
SCHEMBL2404639 0.78 OPRM1 (0.47) MEN1KMT2ACRHBPCRHR2OPRM1
SCHEMBL2400951 0.78 HSD17B10 (0.51) CRHBPCRHR2OPRM1OPRD1CHRM5
SCHEMBL2401326 0.76 ALDH1A1 (0.41) MEN1KMT2AL3MBTL1

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 MEN1 2802/4885KMT2A 3833/4885CRHBP 3595/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 MEN1 2995/4885KMT2A 3636/4885CRHBP 3598/4885

“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.