SCHEMBL2401742

SCHEMBL2401742

O=C(NCC1CC1)C1=NOC2(CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
KDM1A O60341 1/20 0.37
HDAC4 P56524 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SCD O00767 1/20 0.37
HSD11B1 P28845 1/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
RORC P51449 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
LRRK2 Q5S007 1/20 0.36
FASN P49327 1/20 0.36
NAMPT P43490 1/20 0.36
EPHX2 P34913 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
SCHEMBL2403421 0.87 EPHX2 (0.46) HDAC4HDAC6HSD11B1EPHX2
SCHEMBL6410763 0.86 GPR183 (0.38) GPR183KDM1ASCDHSD11B1JAK2
SCHEMBL15309115 0.83 GPR183 (0.45) GPR183GPR119KDM1AHDAC4HDAC6
SCHEMBL2402433 0.82 CHRM4 (0.41) GPR119KDM1AHDAC4HDAC6NAMPT
SCHEMBL2404620 0.82 NAMPT (0.48) HSD11B1NAMPTEPHX2
SCHEMBL2405142 0.82 HDAC3 (0.47) HDAC4HDAC6
SCHEMBL2402761 0.79 KMT2A (0.49)
SCHEMBL2401228 0.76 HPGD (0.45) GPR119SCDFASNNAMPT
SCHEMBL2402460 0.73 ITGB3 (0.45)
SCHEMBL2400778 0.72 HTR1A (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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 GPR183 3007/4885GPR119 628/4885KDM1A 3494/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 GPR183 2454/4885GPR119 883/4885KDM1A 3042/4885

“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.