SCHEMBL2400951

SCHEMBL2400951

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.51
LIMK1 P53667 2/20 0.44
LIMK2 P53671 2/20 0.44
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CYP2C19 P33261 1/20 0.42
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
POLB P06746 1/20 0.39
AR P10275 1/20 0.39
CHRM5 P08912 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
SCHEMBL2400746 0.91 CRHBP (0.52) GAAALDH1A1CRHBPCRHR2CYP2C19
SCHEMBL6410287 0.86 HSD17B10 (0.45) HSD17B10LIMK1LIMK2GAAALDH1A1
SCHEMBL2405022 0.78 MEN1 (0.46) LIMK1LIMK2CRHBPCRHR2L3MBTL1
SCHEMBL2402754 0.77 PKM (0.45) HSD17B10GAAALDH1A1PKML3MBTL1
SCHEMBL6416697 0.77 CYP2C19 (0.52) GAAALDH1A1CYP2C19PKML3MBTL1
SCHEMBL2579196 0.77 ALDH1A1 (0.45) GAAALDH1A1CYP2C19PKML3MBTL1
SCHEMBL6409491 0.77 CRHBP (0.48) GAAALDH1A1CRHBPCRHR2CYP2C19
SCHEMBL2400743 0.76 ALDH1A1 (0.49) GAAALDH1A1CYP2C19PKML3MBTL1
SCHEMBL2400362 0.75 GAA (0.65) GAAALDH1A1CYP2C19PKML3MBTL1
SCHEMBL2404639 0.74 OPRM1 (0.47) ALDH1A1CRHBPCRHR2L3MBTL1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 HSD17B10 732/4885LIMK1 3768/4885LIMK2 2432/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 HSD17B10 348/4885LIMK1 3450/4885LIMK2 2110/4885

“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.