SCHEMBL4154027

SCHEMBL4154027

Cn1c(CN2CCCC(CCCc3ccc(F)cc3)C2)nc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.52
HRH1 P35367 6/20 0.52
KCNH2 Q12809 3/20 0.52
CHRM1 P11229 2/20 0.52
GRM2 Q14416 4/20 0.49
DRD2 P14416 3/20 0.49
DRD3 P35462 2/20 0.49
DRD4 P21917 1/20 0.47
PDE2A O00408 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL4152281 0.94 CYP2D6 (0.53) CYP2D6HRH1KCNH2CHRM1GRM2
SCHEMBL8228158 0.92 GRM2 (0.54) CYP2D6GRM2DRD2DRD3DRD4
SCHEMBL4152111 0.88 GRM2 (0.58) GRM2DRD2DRD3DRD4
SCHEMBL4139191 0.88 GRM2 (0.55) CYP2D6HRH1KCNH2CHRM1GRM2
SCHEMBL4139277 0.88 GRM2 (0.53) CYP2D6HRH1KCNH2CHRM1GRM2
SCHEMBL4154130 0.86 MAOB (0.43) CYP2D6HRH1KCNH2CHRM1ALDH1A1
SCHEMBL4154526 0.80 MAOB (0.49) CYP2D6HRH1KCNH2CHRM1DRD4
SCHEMBL13777211 0.79 GRM2 (0.64) GRM2DRD2DRD3DRD4
SCHEMBL5323729 0.78 GRM2 (0.49) GRM2DRD2DRD3DRD4
SCHEMBL4142354 0.77 LMNA (0.61) GRM2DRD2DRD3DRD4

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 6 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

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 CYP2D6 1251/4885HRH1 215/4885KCNH2 555/4885

“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.