SCHEMBL6411501

SCHEMBL6411501

O=C(O)C1=NOC2(CCN(C(=O)c3ccc(F)cc3F)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
CNR1 P21554 4/20 0.45
NPC1 O15118 1/20 0.44
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
GPR119 Q8TDV5 1/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
MAPK14 Q16539 1/20 0.40
DPP4 P27487 1/20 0.39
CPS1 P31327 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6416363 0.84 KDM4E (0.46) KDM4ECNR1NPC1KMT2AHTT
SCHEMBL2405152 0.83 HSD11B1 (0.46) KDM4ENPC1KMT2AMEN1
SCHEMBL25333360 0.81 KDM4E (0.58) KDM4ECNR1NPC1KMT2AHTT
SCHEMBL15309158 0.81 HPGD (0.54) NPC1HTTGPR119ALDH1A1
SCHEMBL6413687 0.79 HTR1A (0.48)
SCHEMBL2403190 0.78 HPGD (0.46) KDM4ENPC1KMT2AMEN1ALDH1A1
SCHEMBL6409626 0.78 HPGD (0.41) NPC1ALDH1A1
SCHEMBL2403173 0.78 KDM4E (0.51) KDM4ECNR1NPC1KMT2AHTT
SCHEMBL2399891 0.77 SMN1; SMN2 (0.49) KDM4EKMT2AHTTMEN1SMN1; SMN2
SCHEMBL2400917 0.77 RAB9A (0.49) KDM4EKMT2AHTTMEN1MAPK14

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 5 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
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
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

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 KDM4E 67/4885CNR1 2492/4885NPC1 2236/4885

“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.