SCHEMBL4754204

SCHEMBL4754204

CC1CCc2cc(F)cc3nc(CN4CCC(c5cc(F)ccc5F)CC4)n1c23

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.42
GRM2 Q14416 6/20 0.42
DRD3 P35462 5/20 0.42
DRD4 P21917 4/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
OPRK1 P41145 1/20 0.34
GLP1R P43220 1/20 0.34
MAPK1 P28482 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
KCNH2 Q12809 1/20 0.32

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
SCHEMBL4817590 0.92 GRM2 (0.42) DRD2GRM2DRD3DRD4HTR2A
SCHEMBL4949639 0.90 GRM2 (0.54) DRD2GRM2DRD3DRD4HTR2A
SCHEMBL4947913 0.87 DRD2 (0.40) DRD2GRM2DRD3DRD4HTR2A
SCHEMBL4754013 0.86 GRM2 (0.44) DRD2GRM2DRD3DRD4HTR2A
SCHEMBL4946047 0.85 DRD2 (0.54) DRD2GRM2DRD3DRD4OPRM1
SCHEMBL4942307 0.85 DRD2 (0.49) DRD2GRM2DRD3DRD4HTR2A
SCHEMBL4746121 0.85 DRD4 (0.43) DRD2GRM2DRD3DRD4
SCHEMBL4949652 0.84 DRD2 (0.49) DRD2GRM2DRD3DRD4HTR2A
SCHEMBL4947698 0.84 DRD2 (0.49) DRD2GRM2DRD3DRD4HTR2A
SCHEMBL4947711 0.84 DRD2 (0.49) DRD2GRM2DRD3DRD4HTR2A

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 DRD2 51/4885GRM2 1/4885DRD3 94/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B DRD2 51/4885GRM2 1/4885DRD3 94/4885

“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.