SCHEMBL2579293

SCHEMBL2579293

CN(C)S(=O)(=O)N1CCC2(CC1)CC(C(=O)NCc1ccc(F)cc1F)=NO2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
MET P08581 1/20 0.38
MAOB P27338 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
HTR2A P28223 2/20 0.36
P2RX7 Q99572 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
GSK3B P49841 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AKT2 P31751 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SLC22A2 O15244 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL6409917 0.85 EPHX2 (0.38) EPHX2MAOBHTR2AP2RX7ALDH1A1
SCHEMBL2400830 0.81 P2RX7 (0.40) GPR119P2RX7ALDH1A1GAANPC1
SCHEMBL2401315 0.78 NAMPT (0.52) HTR2AALDH1A1GAAMEN1KMT2A
SCHEMBL2400415 0.76 MEN1 (0.46) ALDH1A1GAAMEN1KMT2ANPC1
SCHEMBL2400651 0.75 EPHX2 (0.45) EPHX2ALDH1A1GAAMEN1KMT2A
SCHEMBL2401314 0.75 NPSR1 (0.43) HTR2AALDH1A1MEN1KMT2ANPC1
SCHEMBL2401328 0.74 GAA (0.34) GPR119ALDH1A1GAAMEN1KMT2A
SCHEMBL2404658 0.73 POLB (0.41) ALDH1A1GAAMEN1KMT2ANPC1
SCHEMBL2399115 0.72 SMN1; SMN2 (0.38) GPR119ALDH1A1GAAMEN1KMT2A
SCHEMBL2585376 0.71 ALDH1A1 (0.56) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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 EPHX2 623/4885MET 4143/4885MAOB 2716/4885

“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.