SCHEMBL2401372

SCHEMBL2401372

CCN(CC)c1ccc(C(=O)NNC(=O)C2=NOC3(CCN(S(=O)(=O)c4cccs4)CC3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RECQL P46063 2/20 0.39
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 2/20 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
SCHEMBL2405235 0.77 KMT2A (0.55) PKMKMT2AMEN1RAB9ANPC1
SCHEMBL2401811 0.77 MAPT (0.50) PKMKMT2AMEN1RAB9AMAPT
SCHEMBL2401703 0.75 L3MBTL1 (0.52) PKMKMT2AMEN1RAB9AALDH1A1
SCHEMBL2404657 0.74 ALDH1A1 (0.45) PKMKMT2AMEN1RAB9ANPC1
SCHEMBL2401910 0.73 ALDH1A1 (0.59) PKMKMT2AMEN1RAB9ANPC1
SCHEMBL2402499 0.73 ALDH1A1 (0.55) PKMKMT2AMEN1RAB9AMAPT
SCHEMBL2400978 0.72 PKM (0.42) PKMKMT2AMEN1RAB9AMAPT
SCHEMBL2402059 0.71 RAB9A (0.44) PKMKMT2AMEN1RAB9ANPC1
SCHEMBL2404691 0.71 PKM (0.46) PKMKMT2AMEN1RAB9ANPC1
SCHEMBL2579252 0.70 ALDH1A1 (0.43) PKMKMT2AMEN1RAB9AMAPT

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 PKM 1685/4885KMT2A 3833/4885MEN1 2802/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 PKM 1372/4885KMT2A 3636/4885MEN1 2995/4885

“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.