SCHEMBL506001

SCHEMBL506001

Fc1cccc(C2CCc3oc(-c4ccncn4)nc3C2)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.38
KCNH2 Q12809 1/20 0.38
GSK3B P49841 3/20 0.37
HCAR2 Q8TDS4 2/20 0.33
HDAC4 P56524 1/20 0.32
SCN9A Q15858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
SCD5 Q86SK9 1/20 0.32

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
SCHEMBL505571 0.94 GRM5 (0.37) GRM5KCNH2GSK3BHDAC4SCN9A
SCHEMBL10250174 0.88 HTR2C (0.34) GRM5SCN9ASCD5
SCHEMBL505696 0.88 ADRA1A (0.44) GRM5GSK3BSCN9ASCD5
SCHEMBL505944 0.87 GRM5 (0.44) GRM5KCNH2CYP1A2SCD5
SCHEMBL10250682 0.86 GRM5 (0.34) GRM5KCNH2GSK3BCYP1A2CYP2D6
SCHEMBL505831 0.85 GRM5 (0.39) GRM5KCNH2HCAR2SCD5
SCHEMBL505481 0.85 GRM5 (0.52) GRM5KCNH2HCAR2HDAC4SCD5
SCHEMBL505141 0.83 GRM5 (0.48) GRM5KCNH2GSK3BCYP2D6
SCHEMBL505284 0.82 ADRA1A (0.40) GRM5GSK3BSCN9ASCD5
SCHEMBL10253861 0.82 GRM5 (0.35) GRM5GSK3BSCN9ASCD5

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 3375/4885GSK3B 3185/4885

“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.