SCHEMBL505329

SCHEMBL505329

FC(F)(F)c1cccc(N2CCCc3nc(-c4ccccn4)oc3C2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.61
PHGDH O43175 2/20 0.41
ALDH1A1 P00352 2/20 0.41
DRD2 P14416 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
TP53 P04637 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2C P28335 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DHFR P00374 1/20 0.38

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
SCHEMBL505342 0.85 GRM5 (0.70) GRM5
SCHEMBL10250406 0.85 GRM5 (0.64) GRM5ALDH1A1TP53
SCHEMBL504927 0.82 GRM5 (0.89) GRM5ALDH1A1
SCHEMBL10253747 0.81 GRM5 (0.58) GRM5ALDH1A1TP53
SCHEMBL504751 0.79 GRM5 (0.74) GRM5
SCHEMBL10250307 0.79 GRM5 (0.81) GRM5
SCHEMBL10249974 0.79 GRM5 (0.73) GRM5ALDH1A1TP53
SCHEMBL10250454 0.78 GRM5 (0.66) GRM5ALDH1A1TP53
SCHEMBL504824 0.77 GRM5 (0.74) GRM5ALDH1A1TP53
SCHEMBL10250090 0.77 GRM5 (0.74) GRM5ALDH1A1TP53

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 1/4885PHGDH 967/4885ALDH1A1 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.