SCHEMBL504820

SCHEMBL504820

N#Cc1cccc(-c2nc3c(o2)CN(C(=O)OCc2ccccc2)CC3)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.54
DHFR P00374 1/20 0.46
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDR P35968 1/20 0.45
PTGDR2 Q9Y5Y4 4/20 0.43
CETP P11597 1/20 0.43
MCHR1 Q99705 2/20 0.42
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
S1PR5 Q9H228 2/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 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
SCHEMBL505149 0.94 GRM5 (0.49) GRM5DHFRPPARAALDH1A1MEN1
SCHEMBL17984429 0.83 PTGDR2 (0.49) GRM5DHFRKDRPTGDR2S1PR5
SCHEMBL504611 0.82 CYP2C9 (0.50) GRM5DHFRPPARAMEN1KMT2A
SCHEMBL504497 0.82 S1PR5 (0.48) DHFRPPARAMEN1KMT2AKDR
SCHEMBL505382 0.80 PPARA (0.50) GRM5DHFRPPARAALDH1A1MEN1
SCHEMBL504748 0.78 PTGDR2 (0.49) DHFRMEN1KMT2AKDRPTGDR2
SCHEMBL504525 0.78 GRM5 (0.56) GRM5DHFRMEN1KMT2AKDR
SCHEMBL504967 0.77 GRM5 (0.47) GRM5DHFRPPARAMEN1KMT2A
SCHEMBL20775591 0.76 S1PR5 (0.50) PTGDR2S1PR5
SCHEMBL158187 0.76 GRM5 (0.61) GRM5

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
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
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 1/4885DHFR 550/4885PPARA 430/4885

“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.