SCHEMBL2404620

SCHEMBL2404620

O=C(NCC1CC1)C1=NOC2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
HSD11B1 P28845 1/20 0.46
MGLL Q99685 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
EPHX2 P34913 6/20 0.43
HRH3 Q9Y5N1 2/20 0.42
CXCR3 P49682 1/20 0.42
MMP12 P39900 3/20 0.40
CCR5 P51681 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
ENPP2 Q13822 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
SCHEMBL2403421 0.88 EPHX2 (0.46) HSD11B1MGLLEGLN1EPHX2KMT2A
SCHEMBL6413699 0.86 HSD11B1 (0.44) NAMPTHSD11B1MGLLEGLN1EPHX2
SCHEMBL2402433 0.86 CHRM4 (0.41) NAMPTEPHX2HRH3KMT2A
SCHEMBL2577819 0.84 NAMPT (0.50) NAMPTEGLN1EPHX2HRH3ENPP2
SCHEMBL6409834 0.83 HSD11B1 (0.48) NAMPTHSD11B1MGLLEPHX2HRH3
SCHEMBL2401742 0.82 GPR183 (0.40) NAMPTHSD11B1EPHX2
SCHEMBL2405142 0.82 HDAC3 (0.47) KMT2A
SCHEMBL2402761 0.77 KMT2A (0.49) KMT2A
SCHEMBL6410851 0.76 HSD11B1 (0.47) NAMPTHSD11B1MGLLEPHX2HRH3
SCHEMBL2401228 0.76 HPGD (0.45) NAMPT

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 NAMPT 1402/4885HSD11B1 615/4885MGLL 4522/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 NAMPT 1302/4885HSD11B1 225/4885MGLL 3834/4885

“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.