SCHEMBL505196

SCHEMBL505196

N#Cc1cccnc1C1CCc2nc(-c3ccccc3Cl)oc2C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.41
KDM4E B2RXH2 10/20 0.39
ALDH1A1 P00352 10/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 2/20 0.39
STAT6 P42226 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 5/20 0.39
HSD17B10 Q99714 3/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPK1 P28482 1/20 0.36
GPR119 Q8TDV5 5/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL10251519 0.92 GRM5 (0.43) GRM5GPR119
SCHEMBL505498 0.85 GRM5 (0.53) GRM5KDM4EALDH1A1NPC1RAB9A
SCHEMBL505004 0.85 GRM5 (0.57) GRM5KDM4EALDH1A1NPC1RAB9A
SCHEMBL505802 0.80 GRM5 (0.41) GRM5KDM4EALDH1A1NPC1RAB9A
SCHEMBL10251694 0.79 GRM5 (0.45) GRM5GPR119
SCHEMBL505070 0.79 GRM5 (0.43) GRM5ALDH1A1NPC1RAB9AHPGD
SCHEMBL505690 0.78 GRM5 (0.44) GRM5KDM4EALDH1A1NPC1RAB9A
SCHEMBL505666 0.77 GRM5 (0.56) GRM5KDM4EALDH1A1NPC1RAB9A
SCHEMBL505029 0.77 GRM5 (0.43) GRM5KDM4EALDH1A1NPC1RAB9A
SCHEMBL505445 0.76 GRM5 (0.57) GRM5KDM4EALDH1A1NPC1RAB9A

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 5 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

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 1/4885KDM4E 2855/4885ALDH1A1 1708/4885

“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.