SCHEMBL2403173

SCHEMBL2403173

O=C(c1ccc(F)cc1F)N1CCC2(CC=NO2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
CNR1 P21554 5/20 0.47
NPC1 O15118 1/20 0.46
KMT2A Q03164 4/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 3/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
MAPK14 Q16539 1/20 0.42
CPS1 P31327 1/20 0.41
DPP4 P27487 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
SCHEMBL25333360 0.84 KDM4E (0.58) KDM4ECNR1NPC1KMT2AHTT
SCHEMBL15309141 0.82 L3MBTL1 (0.46) KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL2404917 0.80 HPGD (0.58) NPC1HTTCPS1
SCHEMBL6411501 0.78 KDM4E (0.48) KDM4ECNR1NPC1KMT2AHTT
SCHEMBL2400039 0.76 HPGD (0.44) NPC1
SCHEMBL6416363 0.76 KDM4E (0.46) KDM4ECNR1NPC1KMT2AHTT
SCHEMBL15309143 0.75 RXFP1 (0.51) KDM4EKMT2AHTTMEN1MAPK14
SCHEMBL2404535 0.74 HTT (0.56) KDM4EKMT2AHTTMEN1MAPK1
SCHEMBL11888869 0.74 KDM4E (0.54) KDM4ECNR1NPC1KMT2AHTT
SCHEMBL2401901 0.74 CYP3A4 (0.52) KMT2AMEN1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 KDM4E 356/4885CNR1 1593/4885NPC1 1644/4885

“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.