SCHEMBL4947832

SCHEMBL4947832

Cc1cccc(C2CCN(Cc3nc4cc(Cl)cc5c4n3CCC5)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.48
DRD4 P21917 6/20 0.48
DRD3 P35462 5/20 0.48
GRM2 Q14416 4/20 0.48
KCNH2 Q12809 1/20 0.38
CCR5 P51681 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
MCHR1 Q99705 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4950382 0.91 DRD2 (0.56) DRD2DRD4DRD3GRM2CCR5
SCHEMBL4949187 0.89 DRD2 (0.46) DRD2DRD4DRD3GRM2KCNH2
SCHEMBL4947686 0.89 GRM2 (0.46) DRD2DRD4DRD3GRM2CCR5
SCHEMBL4949378 0.88 DRD2 (0.47) DRD2DRD4DRD3GRM2KCNH2
SCHEMBL4950333 0.86 DRD2 (0.55) DRD2DRD4DRD3GRM2TRPV6
SCHEMBL4943868 0.86 DRD2 (0.51) DRD2DRD4DRD3GRM2KCNH2
SCHEMBL4950360 0.84 GRM2 (0.41) DRD2DRD4DRD3GRM2KCNH2
SCHEMBL4948946 0.83 DRD2 (0.44) DRD2DRD4DRD3GRM2DRD1
SCHEMBL4749767 0.83 DRD2 (0.51) DRD2DRD4DRD3GRM2KCNH2
SCHEMBL4949541 0.83 DRD2 (0.51) DRD2DRD4DRD3GRM2KDM4E

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 129/4885DRD3 94/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B DRD2 51/4885DRD4 129/4885DRD3 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.