SCHEMBL4163880

SCHEMBL4163880

Cc1cccc2nc(CN3CCC(CCCc4cc(F)cc(C(F)(F)F)c4)CC3)n(C)c12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.45
DRD4 P21917 7/20 0.45
DRD2 P14416 6/20 0.45
DRD3 P35462 5/20 0.41
RORC P51449 1/20 0.37
CXCR3 P49682 1/20 0.36
ALDH1A2 O94788 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALDH2 P05091 1/20 0.36
ALDH3A1 P30838 1/20 0.36
ALDH1A3 P47895 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
SCHEMBL8237465 0.94 GRM2 (0.41) GRM2DRD4DRD2DRD3
SCHEMBL4157977 0.87 GRM2 (0.61) GRM2DRD4DRD2DRD3
SCHEMBL4139579 0.86 CYP2D6 (0.43) GRM2DRD4DRD2DRD3
SCHEMBL4151843 0.83 DRD2 (0.46) GRM2DRD4DRD2DRD3ALDH1A1
SCHEMBL4941482 0.81 LIPG (0.36) GRM2DRD4DRD2DRD3CXCR3
SCHEMBL4147399 0.81 MAOB (0.46) GRM2DRD4DRD2DRD3
SCHEMBL4154875 0.78 GRM2 (0.72) GRM2DRD4DRD2DRD3
SCHEMBL4155735 0.76 GRM2 (0.75) GRM2DRD4DRD2DRD3
SCHEMBL4154130 0.76 MAOB (0.43) ALDH1A1
SCHEMBL4752511 0.76 CXCR3 (0.35) GRM2DRD4DRD2CXCR3ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 US claimed
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 US disclosed
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 US disclosed
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 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 (1 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-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 GRM2 3/4885DRD4 205/4885DRD2 101/4885

“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.