SCHEMBL4075719

SCHEMBL4075719

C[C@H](NC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.62
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
HTT P42858 1/20 0.50
GMNN O75496 1/20 0.49
LMNA P02545 1/20 0.49
PMP22 Q01453 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL4079038 1.00 GRIN2B (0.62) GRIN2BMEN1MAPTKMT2ATP53
SCHEMBL4075585 0.92 GRIN2B (0.56) GRIN2BFAAHCNR1CNR2
SCHEMBL4075833 0.88 CACNA2D1 (0.58) GRIN2BMEN1MAPTKMT2ATP53
SCHEMBL4080236 0.87 CNR1 (0.55) GRIN2BFAAHCNR1CNR2
SCHEMBL5804489 0.83 GRIN2B (0.47) GRIN2BFAAHCNR1CNR2CACNA2D1
SCHEMBL4186767 0.82 MAPT (0.50) GRIN2BMEN1MAPTKMT2ATP53
SCHEMBL4089386 0.81 FAAH (0.49) GRIN2BMEN1KMT2ASMN1; SMN2FAAH
SCHEMBL29575080 0.81 FAAH (0.49) GRIN2BMEN1KMT2ASMN1; SMN2FAAH
SCHEMBL29574530 0.81 FAAH (0.49) GRIN2BMEN1KMT2ASMN1; SMN2FAAH
SCHEMBL4075708 0.81 FAAH (0.49) GRIN2BMEN1KMT2ASMN1; SMN2FAAH

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 GRIN2B 375/4885MEN1 2044/4885MAPT 4421/4885

“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.