SCHEMBL4189035

SCHEMBL4189035

Clc1ccc(C(OC2CCNCC2)c2ccccc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
DRD3 P35462 2/20 0.45
CYP3A4 P08684 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 2/20 0.44
GMNN O75496 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC6A3 Q01959 2/20 0.43

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
SCHEMBL9565893 0.92 IDO1 (0.51) MAPTDRD3CYP3A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL9353200 0.90 IDO1 (0.53) MAPTMEN1KMT2ADRD3CYP2D6
SCHEMBL4192982 0.88 HRH1 (0.43) SLC6A3IDO1TDO2IDO2SLC6A2
SCHEMBL12064700 0.86 MEN1 (0.43) TSHRMAPTMEN1KMT2ADRD3
SCHEMBL4189251 0.86 IDO1 (0.43) TSHRMAPTMEN1KMT2ADRD3
SCHEMBL4182455 0.86 TSHR (0.44) TSHRMAPTMEN1KMT2ADRD3
SCHEMBL8537416 0.85 DRD3 (0.59) TSHRMAPTMEN1KMT2ADRD3
SCHEMBL4190405 0.85 DRD3 (0.55) TSHRMAPTMEN1KMT2ADRD3
Hydrochloric Acid SCHEMBL4075339 0.84 IDO1 (0.45) TSHRMAPTMEN1KMT2ADRD3
SCHEMBL17460152 0.82 FAAH (0.57) 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 4615/4885MEN1 2558/4885
US-20070173486-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disordrs CNR1, CNR2, GPR119 TSHR 121/4885MAPT 4534/4885MEN1 3248/4885

“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.