SCHEMBL2402499

SCHEMBL2402499

O=C(NCc1cccc(F)c1)C1=NOC2(CCN(S(=O)(=O)c3cccs3)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
POLB P06746 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 2/20 0.45
PKM P14618 4/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
NAMPT P43490 1/20 0.43
SLC6A9 P48067 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL2401811 0.90 MAPT (0.50) ALDH1A1POLBRAB9AMAPK1PKM
SCHEMBL6410871 0.86 ALDH1A1 (0.53) ALDH1A1POLBRAB9AMAPK1PKM
SCHEMBL2401910 0.79 ALDH1A1 (0.59) ALDH1A1POLBRAB9AMAPK1PKM
SCHEMBL2585376 0.79 ALDH1A1 (0.56) ALDH1A1POLBMAPK1PKMMEN1
SCHEMBL2405235 0.78 KMT2A (0.55) ALDH1A1POLBRAB9AMAPK1PKM
SCHEMBL6411568 0.75 MAPT (0.50) ALDH1A1POLBRAB9AMAPK1PKM
SCHEMBL2402059 0.75 RAB9A (0.44) ALDH1A1POLBRAB9AMAPK1PKM
SCHEMBL2401310 0.75 MAPK1 (0.46) ALDH1A1POLBRAB9AMAPK1NAMPT
SCHEMBL2400651 0.74 EPHX2 (0.45) ALDH1A1POLBMAPK1PKMMAPT
SCHEMBL2400331 0.74 KDM4E (0.54) ALDH1A1POLBMAPK1PKMTP53

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 ALDH1A1 412/4885POLB 3316/4885RAB9A 2779/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 ALDH1A1 156/4885POLB 1636/4885RAB9A 2221/4885

“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.