SCHEMBL4949787

SCHEMBL4949787

CC1CCc2cc(F)cc3nc(CN4CCC(c5ccc(C#N)cc5)CC4)n1c23

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.37
DRD4 P21917 4/20 0.37
GRM2 Q14416 4/20 0.37
DRD3 P35462 2/20 0.37
GLP1R P43220 3/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PIK3CA P42336 1/20 0.34
PRKAA2 P54646 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4947913 0.91 DRD2 (0.40) DRD2DRD4GRM2DRD3HTR2A
SCHEMBL4945981 0.89 DRD2 (0.39) DRD2DRD4GRM2DRD3HTR2A
SCHEMBL4942307 0.88 DRD2 (0.49) DRD2DRD4GRM2DRD3HTR2A
SCHEMBL4950373 0.88 GRM2 (0.39) DRD2DRD4GRM2DRD3HTR2A
SCHEMBL14611673 0.88 HTR2A (0.39) DRD2DRD4GRM2DRD3HTR2A
SCHEMBL4947698 0.88 DRD2 (0.49) DRD2DRD4GRM2DRD3HTR2A
SCHEMBL4949652 0.88 DRD2 (0.49) DRD2DRD4GRM2DRD3HTR2A
SCHEMBL4947711 0.88 DRD2 (0.49) DRD2DRD4GRM2DRD3HTR2A
SCHEMBL4948371 0.86 GRM2 (0.52) DRD2DRD4GRM2DRD3PIK3CA
SCHEMBL4948882 0.86 DRD2 (0.42) DRD2DRD4GRM2DRD3PIK3CA

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-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US claimed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 US claimed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
WO-2007018998-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 US disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 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 (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-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators GRM2, GRM1, GRIN2B DRD2 51/4885DRD4 129/4885GRM2 1/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B DRD2 51/4885DRD4 129/4885GRM2 1/4885

“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.