SCHEMBL4182455

SCHEMBL4182455

Clc1ccc(C(OC2CNC2)c2ccccc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
MAPT P10636 3/20 0.44
SLC6A3 Q01959 3/20 0.44
SLC6A4 P31645 3/20 0.44
HIF1A Q16665 2/20 0.44
CYP3A4 P08684 2/20 0.44
SLC6A2 P23975 2/20 0.44
IDO1 P14902 2/20 0.44
TDO2 P48775 2/20 0.44
IDO2 Q6ZQW0 2/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NR1I2 O75469 1/20 0.44
ABCB11 O95342 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44

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
Hydrochloric Acid SCHEMBL4075339 0.99 IDO1 (0.45) TSHRMAPTSLC6A3SLC6A4HIF1A
Hydrochloric Acid SCHEMBL4089493 0.86 IDO1 (0.45) SLC6A3SLC6A4SLC6A2IDO1TDO2
SCHEMBL4189035 0.86 TSHR (0.45) TSHRMAPTSLC6A3SLC6A4HIF1A
SCHEMBL4075830 0.85 IDO1 (0.46) SLC6A3SLC6A4SLC6A2IDO1TDO2
Hydrochloric Acid SCHEMBL4174672 0.85 MEN1 (0.46) TSHRMAPTSLC6A3SLC6A4CYP3A4
SCHEMBL4084972 0.84 SLC6A3 (0.54) TSHRMAPTSLC6A3SLC6A4CYP3A4
Hydrochloric Acid SCHEMBL4186901 0.82 DRD3 (0.53) TSHRMAPTSLC6A3SLC6A4CYP3A4
SCHEMBL4182364 0.82 IDO1 (0.36) SLC6A4IDO1TDO2IDO2
Hydrochloric Acid SCHEMBL4075647 0.81 SLC6A4 (0.42) TSHRMAPTSLC6A3SLC6A4CYP3A4
SCHEMBL4181677 0.81 FAAH (0.59) CYP2C19CNR1

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 TSHR 404/4885MAPT 4615/4885SLC6A3 513/4885
US-20070173486-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disordrs CNR1, CNR2, GPR119 TSHR 121/4885MAPT 4534/4885SLC6A3 294/4885

“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.