SCHEMBL506036

SCHEMBL506036

Fc1ccc(-c2nc3c(o2)CCC(c2cccc(Cl)c2)C3)nc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.54
KCNH2 Q12809 3/20 0.46
ADRA1A P35348 1/20 0.43
HCAR2 Q8TDS4 2/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ATM Q13315 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
SCHEMBL505627 0.94 GRM5 (0.52) GRM5KCNH2ADRA1AHCAR2TSHR
SCHEMBL505481 0.91 GRM5 (0.52) GRM5KCNH2HCAR2
SCHEMBL10253817 0.88 GRM5 (0.45) GRM5KCNH2HCAR2
SCHEMBL505339 0.84 GRM5 (0.50) GRM5KCNH2HCAR2
SCHEMBL505132 0.84 ADRA1A (0.46) GRM5ADRA1ATSHRKDM4EMAPK1
SCHEMBL505696 0.82 ADRA1A (0.44) GRM5ADRA1ATSHRKDM4EMAPK1
SCHEMBL505062 0.82 ADRA1A (0.44) GRM5ADRA1ATSHRKDM4EMAPK1
SCHEMBL10250213 0.82 GRM5 (0.44) GRM5KCNH2HCAR2NPSR1
SCHEMBL10250319 0.80 GRM5 (0.47) GRM5KCNH2HCAR2
SCHEMBL505768 0.78 GRM5 (0.43) GRM5ADRA1ATSHRKDM4EMAPK1

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 GRM5 1/4885KCNH2 3375/4885ADRA1A 1524/4885

“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.