SCHEMBL4948950

SCHEMBL4948950

FC(F)(F)c1ccc(C2CCN(Cc3nc4cccc5c4n3CCC5)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.58
DRD4 P21917 6/20 0.58
DRD2 P14416 5/20 0.58
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
DRD3 P35462 4/20 0.42
HTT P42858 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ALDH1A2 O94788 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALDH2 P05091 1/20 0.38
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38

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
SCHEMBL4749540 0.89 NPC1 (0.46) GRM2DRD4DRD2NPC1MAPT
SCHEMBL4950796 0.87 DRD2 (0.55) GRM2DRD4DRD2NPC1MAPT
SCHEMBL4753676 0.86 GRM2 (0.52) GRM2DRD4DRD2DRD3HTT
SCHEMBL4944033 0.85 GRM2 (0.51) GRM2DRD4DRD2DRD3HTT
SCHEMBL13993062 0.81 GRM2 (0.57) GRM2DRD4DRD2DRD3HTT
SCHEMBL4950333 0.79 DRD2 (0.55) GRM2DRD4DRD2DRD3HTT
SCHEMBL4154875 0.78 GRM2 (0.72) GRM2DRD4DRD2DRD3
SCHEMBL4947933 0.76 DRD2 (0.39) GRM2DRD4DRD2DRD3
SCHEMBL4944858 0.76 DRD2 (0.48) GRM2DRD4DRD2DRD3ALDH1A1
SCHEMBL4948619 0.74 GRM2 (0.39) GRM2DRD4DRD2DRD3

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 GRM2 1/4885DRD4 129/4885DRD2 51/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B GRM2 1/4885DRD4 129/4885DRD2 51/4885

“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.