SCHEMBL4161960

SCHEMBL4161960

Cn1c(CN2CCC(CCCc3ccccc3)CC2)nc2cccc(Cl)c21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.47
DRD2 P14416 4/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
GRM2 Q14416 3/20 0.45
HRH3 Q9Y5N1 2/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
NPY1R P25929 2/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL4151843 0.89 DRD2 (0.46) ACHEDRD2DRD4DRD3GRM2
SCHEMBL13777211 0.84 GRM2 (0.64) DRD2DRD4DRD3GRM2
SCHEMBL4146868 0.84 NPY1R (0.50) ACHEDRD2DRD4DRD3GRM2
SCHEMBL4149712 0.81 GRM2 (0.53) DRD2DRD4DRD3GRM2NPY1R
SCHEMBL4162244 0.81 GRM2 (0.53) DRD2DRD4DRD3GRM2NPY1R
SCHEMBL4143040 0.81 GRM2 (0.69) DRD2DRD4DRD3GRM2
SCHEMBL4139579 0.80 CYP2D6 (0.43) DRD2DRD4DRD3GRM2MAOB
SCHEMBL4138733 0.78 GRM2 (0.50) ACHEDRD2DRD4DRD3GRM2
SCHEMBL4154874 0.78 GRM2 (0.50) ACHEDRD2DRD4DRD3GRM2
SCHEMBL8227474 0.77 GRM2 (0.54) DRD2DRD4DRD3GRM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 US claimed
EP-2004613-A2 BICYCLIC BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2008-12-24 EP claimed
WO-2007115077-A2 BICYCLIC BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-10-11 WO claimed
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 US disclosed
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 US disclosed
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 US disclosed
WO-2007115077-A2 BICYCLIC BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-10-11 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 (1 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-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 ACHE 1589/4885DRD2 101/4885DRD4 205/4885

“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.