SCHEMBL4749580

SCHEMBL4749580

Fc1cc2c3c(c1)nc(CN1CCC(c4cccc(OC(F)(F)F)c4)CC1)n3CCC2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.42
DRD2 P14416 5/20 0.41
DRD4 P21917 4/20 0.41
GRM2 Q14416 4/20 0.41
DRD3 P35462 2/20 0.37
GLP1R P43220 1/20 0.37
CXCR3 P49682 1/20 0.35
MAP4K1 Q92918 1/20 0.35
OPRM1 P35372 1/20 0.35
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
SCHEMBL4944411 0.90 GRM2 (0.39) MCHR1DRD2DRD4GRM2DRD3
SCHEMBL4695105 0.87 DRD4 (0.42) MCHR1DRD2DRD4GRM2DRD3
SCHEMBL4944858 0.85 DRD2 (0.48) DRD2DRD4GRM2DRD3
SCHEMBL4947064 0.85 GRM2 (0.42) MCHR1DRD2DRD4GRM2DRD3
SCHEMBL4948325 0.83 GRM2 (0.42) DRD2DRD4GRM2DRD3GLP1R
SCHEMBL4947933 0.82 DRD2 (0.39) MCHR1DRD2DRD4GRM2DRD3
SCHEMBL4753676 0.82 GRM2 (0.52) DRD2DRD4GRM2DRD3GLP1R
SCHEMBL4948619 0.81 GRM2 (0.39) DRD2DRD4GRM2DRD3CXCR3
SCHEMBL4947686 0.79 GRM2 (0.46) MCHR1DRD2DRD4GRM2DRD3
SCHEMBL4949378 0.79 DRD2 (0.47) MCHR1DRD2DRD4GRM2DRD3

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-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US claimed
EP-1912989-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-23 EP claimed
WO-2007018998-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO 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 MCHR1 405/4885DRD2 51/4885DRD4 129/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B MCHR1 405/4885DRD2 51/4885DRD4 129/4885

“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.