SCHEMBL4080235

SCHEMBL4080235

O=C(NC12CCC(CC1)C2)N1CC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.42
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL4075603 0.89 LMNA (0.52) FAAHDRD3SLC6A3CNR1CNR2
SCHEMBL23912853 0.84 LMNA (0.47) FAAHDRD3SLC6A3CNR2LMNA
SCHEMBL4182413 0.83 LMNA (0.51) FAAHDRD3SLC6A3CNR1CNR2
SCHEMBL4182411 0.83 LMNA (0.51) FAAHDRD3SLC6A3CNR1CNR2
SCHEMBL4084625 0.77 CNR2 (0.47) CNR2LMNATSHRALOX12HTT
SCHEMBL4189090 0.76 FAAH (0.64) FAAHCNR1CNR2CYP2C19KCNH2
SCHEMBL23912854 0.76 FAAH (0.40) FAAHCNR1CNR2LMNATSHR
SCHEMBL4075138 0.76 FAAH (0.43) FAAHCNR1CNR2LMNATSHR
SCHEMBL4078364 0.74 CNR1 (0.55) FAAHDRD3SLC6A3CNR1
SCHEMBL4084550 0.74 ALDH1A1 (0.52) FAAHCNR1CNR2LMNAHTT

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
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

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 FAAH 8/4885DRD3 476/4885SLC6A3 313/4885

“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.