SCHEMBL4728467

SCHEMBL4728467

COc1ccccc1C1CCN(Cc2nc3c(N)cccc3n2C)CC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.72
GRM2 Q14416 5/20 0.72
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
DRD3 P35462 4/20 0.52
DRD4 P21917 3/20 0.50
ATM Q13315 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL4725109 0.77 GRM2 (0.77) DRD2GRM2MEN1KMT2ADRD3
SCHEMBL4725468 0.76 GRM2 (0.77) DRD2GRM2DRD3DRD4
SCHEMBL4726289 0.74 GRM2 (0.72) DRD2GRM2MEN1KMT2ADRD3
SCHEMBL4925251 0.73 GRM2 (0.71) DRD2GRM2MEN1KMT2ADRD3
SCHEMBL4725327 0.73 GRM2 (0.73) DRD2GRM2DRD3DRD4
Hydrochloric Acid SCHEMBL4777820 0.72 GRM2 (0.72) DRD2GRM2DRD3DRD4
SCHEMBL4747037 0.71 DRD2 (0.76) DRD2GRM2MEN1KMT2ADRD4
SCHEMBL13777216 0.70 GRM2 (0.70) DRD2GRM2DRD3DRD4
SCHEMBL4728476 0.70 GRM2 (0.73) DRD2GRM2MEN1KMT2ADRD3
SCHEMBL4154812 0.70 GRM2 (0.69) DRD2GRM2MEN1KMT2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 DRD2 2308/4885GRM2 4477/4885MEN1 847/4885

“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.