SCHEMBL4139191

SCHEMBL4139191

Cn1c(CN2CCC(CCc3ccc(F)cc3)C2)nc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.55
DRD2 P14416 8/20 0.55
DRD3 P35462 5/20 0.55
DRD4 P21917 6/20 0.54
KCNH2 Q12809 2/20 0.50
CYP2D6 P10635 2/20 0.50
CHRM1 P11229 2/20 0.50
HRH1 P35367 2/20 0.50

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) GRM2DRD2DRD3DRD4KCNH2
SCHEMBL4154027 0.88 CYP2D6 (0.52) GRM2DRD2DRD3DRD4KCNH2
SCHEMBL4152111 0.88 GRM2 (0.58) GRM2DRD2DRD3DRD4
SCHEMBL4142025 0.85 MAOB (0.42) GRM2DRD2DRD3DRD4KCNH2
SCHEMBL4139277 0.83 GRM2 (0.53) GRM2DRD2DRD3DRD4KCNH2
SCHEMBL5323729 0.83 GRM2 (0.49) GRM2DRD2DRD3DRD4
SCHEMBL4154526 0.79 MAOB (0.49) DRD4KCNH2CYP2D6CHRM1HRH1
SCHEMBL8228158 0.79 GRM2 (0.54) GRM2DRD2DRD3DRD4CYP2D6
SCHEMBL4147399 0.78 MAOB (0.46) GRM2DRD2DRD3DRD4KCNH2
SCHEMBL4154556 0.78 NPC1 (0.58) 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 9 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
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 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
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 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 (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-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 GRM2 3/4885DRD2 101/4885DRD3 147/4885
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds EIF2AK2, HAVCR2, MAVS GRM2 2872/4885DRD2 1796/4885DRD3 2061/4885

“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.