SCHEMBL504886

SCHEMBL504886

c1ccc(-c2nc3c(o2)CN(c2ccccn2)CC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.53
GRM5 P41594 5/20 0.52
ACHE P22303 6/20 0.51
BACE1 P56817 6/20 0.51
BCHE P06276 5/20 0.51
GRIN1 Q05586 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49

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
SCHEMBL505152 0.90 ACHE (0.55) GPR119GRM5ACHEBACE1BCHE
SCHEMBL504787 0.90 GRM5 (0.64) GPR119GRM5ACHEBACE1BCHE
SCHEMBL504195 0.87 ACHE (0.57) GPR119GRM5ACHEBACE1GRIN1
SCHEMBL504579 0.87 GRM5 (0.65) GPR119GRM5ACHEBACE1BCHE
SCHEMBL505363 0.86 GPR119 (0.50) GPR119GRM5ACHEBACE1BCHE
SCHEMBL504871 0.85 GRM5 (0.67) GPR119GRM5ACHEBACE1
SCHEMBL10250911 0.85 GRM5 (0.46) GPR119GRM5ACHEBACE1BCHE
SCHEMBL505319 0.85 ALDH1A1 (0.49) GPR119GRM5ACHEBACE1BCHE
SCHEMBL10285696 0.83 GRM5 (0.47) GPR119GRM5ACHEBACE1BCHE
SCHEMBL504683 0.83 GRM5 (0.47) GRM5ACHEBACE1BCHEGRIN1

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-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 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-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 GPR119 94/4885GRM5 1/4885ACHE 611/4885

“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.