SCHEMBL4949652

SCHEMBL4949652

C[C@@H]1CCc2cc(F)cc3nc(CN4CCC(c5ccccc5)CC4)n1c23

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.49
GRM2 Q14416 6/20 0.49
DRD4 P21917 6/20 0.49
DRD3 P35462 5/20 0.49
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CCR3 P51677 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.37
SLC18A3 Q16572 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 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
SCHEMBL4947711 1.00 DRD2 (0.49) DRD2GRM2DRD4DRD3KDM4E
SCHEMBL4947698 1.00 DRD2 (0.49) DRD2GRM2DRD4DRD3KDM4E
SCHEMBL4947913 0.93 DRD2 (0.40) DRD2GRM2DRD4DRD3HTR2A
SCHEMBL4746121 0.92 DRD4 (0.43) DRD2GRM2DRD4DRD3
SCHEMBL4945981 0.91 DRD2 (0.39) DRD2GRM2DRD4DRD3KDM4E
SCHEMBL4751391 0.91 DRD4 (0.42) DRD2GRM2DRD4DRD3KDM4E
SCHEMBL4942307 0.90 DRD2 (0.49) DRD2GRM2DRD4DRD3ALDH1A1
SCHEMBL4950373 0.90 GRM2 (0.39) DRD2GRM2DRD4DRD3KDM4E
SCHEMBL14611673 0.90 HTR2A (0.39) DRD2GRM2DRD4DRD3KDM4E
SCHEMBL4949174 0.90 DRD2 (0.54) DRD2GRM2DRD4DRD3ALDH1A1

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