SCHEMBL504871

SCHEMBL504871

N#Cc1cccc(-c2nc3c(o2)CN(c2ccccn2)CC3)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 17/20 0.67
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
PDE4D Q08499 1/20 0.42
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL504713 0.93 GRM5 (0.66) GRM5ACHEBACE1PDE4D
SCHEMBL504657 0.90 GRM5 (0.57) GRM5ACHEBACE1PDE4D
SCHEMBL504886 0.85 GPR119 (0.53) GRM5ACHEBACE1GPR119
SCHEMBL504195 0.85 ACHE (0.57) GRM5ACHEBACE1GPR119
SCHEMBL504613 0.84 GRM5 (0.70) GRM5BACE1PDE4DGPR119
SCHEMBL504865 0.84 GRM5 (0.74) GRM5GPR119
SCHEMBL504798 0.82 GRM5 (0.75) GRM5
SCHEMBL505319 0.82 ALDH1A1 (0.49) GRM5ACHEBACE1GPR119
SCHEMBL10250911 0.82 GRM5 (0.46) GRM5ACHEBACE1GPR119
SCHEMBL504581 0.82 GRM5 (0.74) GRM5GPR119

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 3 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
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 GRM5 1/4885ACHE 611/4885BACE1 3897/4885

“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.