SCHEMBL505503

SCHEMBL505503

Clc1ccc(-c2nc3c(o2)CC(c2ccccn2)CC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.45
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37
BACE1 P56817 1/20 0.37
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15B O15296 1/20 0.34
GRM5 P41594 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DRD4 P21917 3/20 0.34
DRD2 P14416 2/20 0.34
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL505276 0.90 GPR119 (0.54) GPR119ALDH1A1NPC1RAB9AKDM4E
SCHEMBL504857 0.84 GRM5 (0.48) GPR119ALDH1A1NPC1RAB9AKDM4E
SCHEMBL505802 0.84 GRM5 (0.41) GPR119ALDH1A1NPC1RAB9AKDM4E
SCHEMBL504698 0.81 GRM5 (0.45) GPR119ACHEBACE1ALDH1A1NPC1
SCHEMBL505759 0.81 GPR119 (0.43) GPR119ALDH1A1NPC1RAB9AKDM4E
SCHEMBL10286168 0.79 NPC1 (0.41) GPR119ALDH1A1NPC1RAB9AKDM4E
SCHEMBL10250542 0.79 MEN1 (0.41) GPR119ACHEBACE1ALDH1A1NPC1
SCHEMBL505120 0.79 PRCP (0.38) GPR119ACHEBCHEBACE1ALDH1A1
SCHEMBL505082 0.79 NPC1 (0.45) GPR119ALDH1A1NPC1RAB9AKDM4E
SCHEMBL505076 0.78 GRM5 (0.51) GPR119GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414340-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-02-08 EP 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
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
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 94/4885ACHE 611/4885BCHE 814/4885

“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.