SCHEMBL4075833

SCHEMBL4075833

O=C(NC(c1ccccc1)c1ccccc1)N1CC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.58
CACNA1B Q00975 4/20 0.58
CACNB1 Q02641 4/20 0.58
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
HTT P42858 1/20 0.49
GMNN O75496 1/20 0.48
LMNA P02545 1/20 0.48
PMP22 Q01453 1/20 0.48

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
SCHEMBL4075719 0.88 GRIN2B (0.62) CACNA2D1CACNA1BCACNB1MEN1MAPT
SCHEMBL4079038 0.88 GRIN2B (0.62) CACNA2D1CACNA1BCACNB1MEN1MAPT
SCHEMBL4186767 0.84 MAPT (0.50) MEN1MAPTKMT2ATP53CYP1A2
SCHEMBL4075585 0.80 GRIN2B (0.56) GRIN2BFAAH
SCHEMBL4084892 0.79 FAAH (0.52) SMN1; SMN2FAAH
SCHEMBL4082474 0.78 FAAH (0.49) FAAH
SCHEMBL4080228 0.78 CNR1 (0.48) DRD3FAAH
SCHEMBL4182479 0.78 FAAH (0.48) MEN1MAPTKMT2ATP53CYP1A2
SCHEMBL4189458 0.77 DRD3 (0.54) MEN1MAPTKMT2ATP53CYP1A2
SCHEMBL4080236 0.77 CNR1 (0.55) GRIN2BFAAH

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-1620395-B1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RES LTD (GB) 2009-12-30 EP disclosed
US-7504522-B2 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders VERNALIS RESEARCH LIMITED (GB) 2009-03-17 US disclosed
US-20070054891-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders VERNALIS RESEARCH LIMAITED (GB) 2007-03-08 US disclosed
EP-1620395-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2006-02-01 EP disclosed
WO-2004096763-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-11-11 WO 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-20070054891-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders CNR1, CNR2, GPR119 CACNA2D1 1536/4885CACNA1B 397/4885CACNB1 1953/4885

“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.