SCHEMBL4184963

SCHEMBL4184963

Clc1ccc(C(OC2CCN(Cc3ccccc3)CC2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
SIGMAR1 Q99720 1/20 0.55
BCHE P06276 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
THPO P40225 1/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
HTT P42858 1/20 0.54
GMNN O75496 1/20 0.53
LMNA P02545 1/20 0.53
PMP22 Q01453 1/20 0.53

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
SCHEMBL4189259 0.92 MEN1 (0.52) ALDH1A1BCHEMEN1KMT2AMAPT
SCHEMBL4193197 0.92 MEN1 (0.52) ALDH1A1BCHEMEN1KMT2AMAPT
SCHEMBL4189263 0.92 MEN1 (0.52) ALDH1A1BCHEMEN1KMT2AMAPT
SCHEMBL4193409 0.90 FAAH (0.53) ALDH1A1SIGMAR1BCHEMEN1KMT2A
SCHEMBL4182220 0.88 FAAH (0.49) ALDH1A1SIGMAR1BCHE
SCHEMBL8583410 0.87 FAAH (0.53) ALDH1A1CYP2D6DRD2LMNA
SCHEMBL14825337 0.81 BCHE (0.53) ALDH1A1BCHEMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL9353133 0.81 BCHE (0.61) BCHEMEN1KMT2AMAPTTP53
SCHEMBL4182222 0.81 ACHE (0.49) ALDH1A1SIGMAR1BCHEDRD2DRD4
SCHEMBL12064935 0.80 KMT2A (0.50) KMT2ACYP2D6DRD3

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 ALDH1A1 1672/4885SIGMAR1 201/4885BCHE 1323/4885
US-20070173486-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disordrs CNR1, CNR2, GPR119 ALDH1A1 1601/4885SIGMAR1 85/4885BCHE 1492/4885

“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.