SCHEMBL4189458

SCHEMBL4189458

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.54
SLC6A3 Q01959 1/20 0.54
FAAH O00519 11/20 0.51
CNR1 P21554 2/20 0.50
CNR2 P34972 2/20 0.50
CYP2C19 P33261 1/20 0.50
KCNH2 Q12809 1/20 0.50
MGLL Q99685 1/20 0.50
MEN1 O00255 1/20 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
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 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
SCHEMBL4182209 0.88 DRD3 (0.52) DRD3SLC6A3FAAHMEN1TP53
SCHEMBL4182203 0.88 DRD3 (0.52) DRD3SLC6A3FAAHMEN1TP53
SCHEMBL4188671 0.87 FAAH (0.49) FAAHCNR1CNR2CYP2C19KCNH2
SCHEMBL4183944 0.87 FAAH (0.55) FAAHCNR1CNR2CYP2C19KCNH2
SCHEMBL4182266 0.85 FAAH (0.55) FAAHCNR1CNR2CYP2C19KCNH2
SCHEMBL4189404 0.81 FAAH (0.49) DRD3SLC6A3FAAHCNR1CNR2
SCHEMBL4177496 0.80 MEN1 (0.48) DRD3SLC6A3FAAHCNR1CNR2
SCHEMBL4182479 0.79 FAAH (0.48) DRD3FAAHCNR1CNR2CYP2C19
SCHEMBL4080228 0.79 CNR1 (0.48) DRD3SLC6A3FAAHCNR1CNR2
SCHEMBL4191420 0.78 FAAH (0.49) DRD3SLC6A3FAAHCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181939-A1 Azetidinecarboxamide Derivatives And Their Use In The Treatment Of CB1 Receptor Mediated Disorders VERNALIS RESEARCH LIMITED. (GB) 2009-07-16 US disclosed
US-20070173486-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disordrs VERNALIS RESEARCH LIMITED (GB) 2007-07-26 US disclosed
EP-1618105-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2006-01-25 EP disclosed
WO-2004096794-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDRS 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 (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-20090181939-A1 Azetidinecarboxamide Derivatives And Their Use In The Treatment Of CB1 Receptor Mediated Disorders CNR1, CNR2, GPR119 DRD3 255/4885SLC6A3 513/4885FAAH 116/4885
US-20070173486-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disordrs CNR1, CNR2, GPR119 DRD3 168/4885SLC6A3 294/4885FAAH 216/4885

“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.