SCHEMBL4139277

SCHEMBL4139277

Cn1c(CN2CCCC(Cc3ccc(F)cc3)C2)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.53
DRD2 P14416 4/20 0.53
CYP2D6 P10635 3/20 0.53
HRH1 P35367 3/20 0.53
DRD3 P35462 3/20 0.53
KCNH2 Q12809 2/20 0.53
CHRM1 P11229 2/20 0.53
DRD4 P21917 2/20 0.51
PDE2A O00408 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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 0.90 CYP2D6 (0.53) GRM2DRD2CYP2D6HRH1DRD3
SCHEMBL4154027 0.88 CYP2D6 (0.52) GRM2DRD2CYP2D6HRH1DRD3
SCHEMBL20281673 0.85 PDE2A (0.58) GRM2DRD2DRD3DRD4PDE2A
SCHEMBL4153083 0.85 CCR3 (0.43) CYP2D6HRH1KCNH2CHRM1
SCHEMBL4139191 0.83 GRM2 (0.55) GRM2DRD2CYP2D6HRH1DRD3
SCHEMBL8228158 0.79 GRM2 (0.54) GRM2DRD2CYP2D6DRD3DRD4
SCHEMBL20281857 0.79 GRM2 (0.56) GRM2DRD2DRD3DRD4PDE2A
SCHEMBL4146825 0.78 GRM2 (0.70) GRM2DRD2DRD3DRD4
SCHEMBL4152111 0.77 GRM2 (0.58) GRM2DRD2DRD3DRD4
SCHEMBL4142202 0.76 GRM2 (0.82) 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 14 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-20210122763-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-04-29 US disclosed
EP-3810612-A1 OGA INHIBITOR COMPOUNDS Janssen Pharmaceutica NV (BE) 2021-04-28 EP disclosed
CN-112292381-A OGA inhibitor compounds 詹森药业有限公司 2021-01-29 CN disclosed
US-20200079766-A1 MONOCYCLIC OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2020-03-12 US disclosed
WO-2019243530-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
EP-3555087-A1 MONOCYCLIC OGA INHIBITOR COMPOUNDS Janssen Pharmaceutica NV (BE) 2019-10-23 EP disclosed
WO-2018109202-A1 MONOCYCLIC OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2018-06-21 WO 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-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 (3 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-20210122763-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN GRM2 761/4885DRD2 4676/4885CYP2D6 4092/4885
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 GRM2 3/4885DRD2 101/4885CYP2D6 1251/4885
US-20200079766-A1 MONOCYCLIC OGA INHIBITOR COMPOUNDS OGA, OGT, PSEN1 GRM2 363/4885DRD2 4669/4885CYP2D6 4206/4885

“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.