SCHEMBL4945404

SCHEMBL4945404

CC1CCc2cc(F)cc3nc(CN4CCC(CCOc5cc(F)cc(F)c5)CC4)n1c23

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SLC6A2 P23975 1/20 0.33
CHEK2 O96017 4/20 0.32
CCR3 P51677 1/20 0.30

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
SCHEMBL14582409 0.93 DRD2 (0.35) DRD2DRD4SLC6A4SLC6A3SLC6A2
SCHEMBL4948943 0.93 SLC6A4 (0.37) DRD2DRD4SLC6A4SLC6A3SLC6A2
SCHEMBL4947635 0.90 DRD2 (0.35) DRD2DRD4HTR2AHTR2CSLC6A4
SCHEMBL4941648 0.83 DRD2 (0.34) DRD2DRD4SLC6A4SLC6A3SLC6A2
SCHEMBL4950357 0.81 ACHE (0.37) DRD2DRD4HTR2AHTR2CSLC6A4
SCHEMBL13993050 0.79 CCR3 (0.44) CCR3
SCHEMBL4948295 0.79 CARM1 (0.39) DRD2DRD4HTR2AHTR2CCCR3
SCHEMBL4948882 0.78 DRD2 (0.42) DRD2DRD4
SCHEMBL4947913 0.78 DRD2 (0.40) DRD2DRD4HTR2AHTR2C
SCHEMBL4947266 0.78 GRM2 (0.40) DRD2DRD4

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 129/4885HTR2A 99/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B DRD2 51/4885DRD4 129/4885HTR2A 99/4885

“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.