SCHEMBL4079546

SCHEMBL4079546

O=C(NC1CCCCC1)N1CC(OC(c2ccc(Br)cc2)c2ccc(Br)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.50
NAAA Q02083 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX1 P07099 1/20 0.45
CNR2 P34972 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX2 P34913 1/20 0.44
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
MDM2 Q00987 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
SCHEMBL4077629 0.99 CNR1 (0.48) CNR1NAAAMEN1NPC1RAB9A
SCHEMBL4084550 0.88 ALDH1A1 (0.52) CNR1CNR2HTTSMN1; SMN2
SCHEMBL4078442 0.81 NAAA (0.46) CNR1NAAAKMT2ACYP1A2
SCHEMBL4195924 0.80 ALDH1A1 (0.55) CNR1CNR2HTTEPHX2SMN1; SMN2
SCHEMBL4195932 0.80 ALDH1A1 (0.55) CNR1CNR2HTTEPHX2SMN1; SMN2
SCHEMBL4075563 0.78 CNR1 (0.47) CNR1NAAAMEN1NPC1RAB9A
SCHEMBL4079548 0.76 CNR1 (0.55) CNR1CNR2HTTNPSR1SMN1; SMN2
SCHEMBL4080289 0.76 NAAA (0.43) NAAAMEN1NPC1RAB9AKMT2A
SCHEMBL4078545 0.76 NAAA (0.43) CNR1NAAAMEN1KMT2ACNR2
SCHEMBL4087413 0.75 CNR1 (0.55) CNR1CNR2HTTNPSR1EPHX2

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 CNR1 1/4885NAAA 175/4885MEN1 2044/4885

“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.