SCHEMBL4151843

SCHEMBL4151843

Cc1cccc2nc(CN3CCC(CCCc4ccccc4)CC3)n(C)c12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
DRD4 P21917 2/20 0.46
GRM2 Q14416 2/20 0.46
DRD3 P35462 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
NPY1R P25929 3/20 0.45
ACHE P22303 6/20 0.45
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL4139579 0.91 CYP2D6 (0.43) DRD2DRD4GRM2DRD3
SCHEMBL4161960 0.89 ACHE (0.47) DRD2DRD4GRM2DRD3HRH3
SCHEMBL13777211 0.85 GRM2 (0.64) DRD2DRD4GRM2DRD3
SCHEMBL4147399 0.84 MAOB (0.46) DRD2DRD4GRM2DRD3ACHE
SCHEMBL4163880 0.83 GRM2 (0.45) DRD2DRD4GRM2DRD3ALDH1A1
SCHEMBL8237465 0.83 GRM2 (0.41) DRD2DRD4GRM2DRD3NPY1R
SCHEMBL4138733 0.80 GRM2 (0.50) DRD2DRD4GRM2DRD3HRH3
SCHEMBL4154874 0.80 GRM2 (0.50) DRD2DRD4GRM2DRD3HRH3
SCHEMBL4159381 0.80 GRM2 (0.70) DRD2DRD4GRM2DRD3ALDH1A1
SCHEMBL4154130 0.80 MAOB (0.43) ALDH1A1TSHR

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 DRD2 101/4885DRD4 205/4885GRM2 3/4885

“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.