SCHEMBL2400746

SCHEMBL2400746

Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC(C(=O)N(CCc2ccccc2)Cc2ccccc2)=NO3)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
CYP2C19 P33261 1/20 0.44
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRM5 P08912 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL2400951 0.91 HSD17B10 (0.51) CRHBPCRHR2OPRM1OPRD1CYP2C19
SCHEMBL2405022 0.87 MEN1 (0.46) CRHBPCRHR2OPRM1OPRD1MEN1
SCHEMBL6409491 0.86 CRHBP (0.48) CRHBPCRHR2OPRM1OPRD1CYP2C19
SCHEMBL2404639 0.82 OPRM1 (0.47) CRHBPCRHR2OPRM1OPRD1MEN1
SCHEMBL6416697 0.79 CYP2C19 (0.52) CYP2C19GAAPKMMEN1KMT2A
SCHEMBL2400743 0.78 ALDH1A1 (0.49) CYP2C19GAAPKMMEN1KMT2A
SCHEMBL2400362 0.77 GAA (0.65) CYP2C19GAAPKMKMT2ATSHR
SCHEMBL6410287 0.77 HSD17B10 (0.45) CRHBPCRHR2CYP2C19GAAPKM
SCHEMBL6410109 0.74 MEN1 (0.45) CRHBPCRHR2OPRM1OPRD1MEN1
SCHEMBL2579196 0.74 ALDH1A1 (0.45) CYP2C19GAAPKMMEN1KMT2A

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 CRHBP 3595/4885CRHR2 737/4885OPRM1 1919/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 CRHBP 3598/4885CRHR2 530/4885OPRM1 1062/4885

“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.