SCHEMBL2581179

SCHEMBL2581179

O=C(C1=NOC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)C1)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.49
TP53 P04637 1/20 0.47
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
OPRD1 P41143 1/20 0.43
RORC P51449 1/20 0.42
GRM5 P41594 1/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL2401405 0.84 TSHR (0.46) TP53LMNAALDH1A1MAPTRAB9A
SCHEMBL2402454 0.84 ALDH1A1 (0.48) TP53LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL2403707 0.81 SIGMAR1 (0.46) ALDH1A1RAB9AMEN1KMT2AGAA
SCHEMBL6409697 0.80 TSHR (0.48) LMNAALDH1A1MAPTRAB9AKMT2A
SCHEMBL2400578 0.78 NPC1 (0.46) LMNAALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL6411842 0.78 MAPT (0.48) TP53LMNAMAPTSMN1; SMN2MEN1
SCHEMBL2401137 0.76 TRPV4 (0.49) LMNAALDH1A1MAPTKMT2AGAA
SCHEMBL2400988 0.74 ALDH1A1 (0.42) LMNAALDH1A1MAPTRAB9ANPC1
SCHEMBL6409700 0.74 TSHR (0.47) LMNAALDH1A1MAPTRAB9AKMT2A
SCHEMBL2403146 0.74 CYP2C19 (0.43) ALDH1A1MAPTRAB9ASMN1; SMN2KMT2A

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
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
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 claimed
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 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
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 (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 RECQL 701/4885TP53 3890/4885LMNA 2583/4885

“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.