SCHEMBL975371

SCHEMBL975371

COC(=O)c1cc(F)cc(N(C2CN(C(c3ccc(F)cc3)c3ccc(F)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.37
OPRD1 P41143 3/20 0.36
KDM4E B2RXH2 1/20 0.35
SCN9A Q15858 2/20 0.33
BACE1 P56817 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SCN7A Q01118 1/20 0.32
SCN5A Q14524 1/20 0.32
NPY5R Q15761 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32

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
SCHEMBL979321 0.94 OPRD1 (0.35) MGLLOPRD1KDM4ESCN9ASCN7A
SCHEMBL977021 0.93 SLC6A9 (0.36) MGLLOPRD1SCN9AMAPTATM
SCHEMBL977905 0.91 ACHE (0.40) MEN1KMT2A
SCHEMBL977229 0.89 OPRD1 (0.35) MGLLOPRD1KDM4ESCN9ABACE1
SCHEMBL2906421 0.86 POLB (0.34) MGLLSCN9ALMNA
SCHEMBL977372 0.84 OPRD1 (0.36) MGLLOPRD1SCN9AKMT2AMAPT
SCHEMBL974854 0.84 OPRD1 (0.37) MGLLOPRD1KDM4EMAPK1HTT
SCHEMBL975274 0.84 SLC6A9 (0.38) MGLLOPRD1MAPTATM
SCHEMBL978429 0.83 SLC6A9 (0.36) OPRD1MEN1KMT2AMAPTMAPK1
SCHEMBL977037 0.83 MAPT (0.36) OPRD1KDM4EKMT2AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 US claimed
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 EP claimed
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2011-01-13 US claimed
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 US disclosed
US-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 US disclosed
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2011-01-13 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-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B MGLL 4653/4885OPRD1 144/4885KDM4E 1074/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B MGLL 4653/4885OPRD1 144/4885KDM4E 1074/4885

“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.