SCHEMBL4182364

SCHEMBL4182364

Clc1ccc(C(OC2CNC2)c2ccccc2Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
IDO2 Q6ZQW0 2/20 0.36
FAAH O00519 1/20 0.35
CHRNB2 P17787 3/20 0.34
CHRNB4 P30926 3/20 0.34
CHRNA3 P32297 3/20 0.34
CHRNA4 P43681 3/20 0.34
CHRNA7 P36544 1/20 0.34
SLC6A4 P31645 2/20 0.32

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
SCHEMBL4182455 0.82 TSHR (0.44) IDO1TDO2IDO2SLC6A4
Hydrochloric Acid SCHEMBL4075339 0.81 IDO1 (0.45) IDO1TDO2IDO2SLC6A4
Hydrochloric Acid SCHEMBL4089493 0.80 IDO1 (0.45) IDO1TDO2IDO2SLC6A4
SCHEMBL4186957 0.80 FAAH (0.39) IDO1TDO2IDO2FAAH
SCHEMBL4186528 0.73 CNR1 (0.48) FAAH
SCHEMBL4181677 0.70 FAAH (0.59) FAAH
SCHEMBL4189035 0.69 TSHR (0.45) IDO1TDO2IDO2SLC6A4
SCHEMBL4075830 0.69 IDO1 (0.46) IDO1TDO2SLC6A4
SCHEMBL9565893 0.69 IDO1 (0.51) IDO1TDO2IDO2SLC6A4
Hydrochloric Acid SCHEMBL4174672 0.68 MEN1 (0.46) SLC6A4

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 IDO1 1309/4885TDO2 1391/4885IDO2 1363/4885
US-20070173486-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disordrs CNR1, CNR2, GPR119 IDO1 1074/4885TDO2 818/4885IDO2 1032/4885

“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.