SCHEMBL2400843

SCHEMBL2400843

O=C(C1=NOC2(CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1)N1CCN(c2ncnc3sccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.44
GAA P10253 3/20 0.43
RAB9A P51151 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
GALR3 O60755 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 2/20 0.38
NR2F2 P24468 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
PEAK1 Q9H792 1/20 0.37
CNR1 P21554 1/20 0.37
HRH1 P35367 1/20 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
SCHEMBL6785046 0.93 STAT3 (0.38) STAT3GAARAB9AHTTSMN1; SMN2
SCHEMBL2401332 0.83 HTT (0.41) STAT3GAARAB9AHTTSMN1; SMN2
SCHEMBL6409831 0.76 ATM (0.55) GAAHTTSMN1; SMN2PKMALDH1A1
SCHEMBL2401137 0.75 TRPV4 (0.49) GAAPKMALDH1A1TDP1MAPT
SCHEMBL6417412 0.69 ATM (0.51) GAAHTTSMN1; SMN2PKMALDH1A1
SCHEMBL14276917 0.66 HTT (0.63) STAT3GAARAB9AHTTSMN1; SMN2
SCHEMBL28322311 0.66 MEN1 (0.64) STAT3GAARAB9AHTTSMN1; SMN2
SCHEMBL6411842 0.66 MAPT (0.48) GAAHTTSMN1; SMN2TDP1MAPT
SCHEMBL2404636 0.66 ATM (0.43) HTTSMN1; SMN2ALDH1A1TDP1USP2
SCHEMBL2399292 0.65 POLB (0.49) HTTSMN1; SMN2ALDH1A1TDP1MAPT

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 9 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-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
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 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
EP-1401841-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-03-31 EP disclosed
WO-2003000699-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-01-03 WO 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 STAT3 4537/4885GAA 2363/4885RAB9A 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 STAT3 4631/4885GAA 1186/4885RAB9A 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.