SCHEMBL505304

SCHEMBL505304

COc1cc(F)cc(C2CCc3oc(-c4ccccn4)nc3C2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.42
ADRA1A P35348 1/20 0.35
PDE4A P27815 1/20 0.35
GRM7 Q14831 1/20 0.35
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 3/20 0.34
PKM P14618 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HTR1A P08908 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
SCHEMBL505074 0.90 GRM5 (0.48) GRM5HSD17B10NPC1PKMRAB9A
SCHEMBL505471 0.87 ADRA1A (0.48) GRM5ADRA1APDE4AGRM7NPC1
SCHEMBL10250521 0.87 GRM5 (0.44) GRM5HSD17B10NPC1PKMRAB9A
SCHEMBL505944 0.84 GRM5 (0.44) GRM5HSD17B10NPC1PKMRAB9A
SCHEMBL506236 0.84 GRM5 (0.49) GRM5HSD17B10NPC1PKMRAB9A
SCHEMBL505308 0.83 GRM5 (0.60) GRM5
SCHEMBL10253858 0.82 GRM5 (0.46) GRM5HSD17B10NPC1PKMRAB9A
SCHEMBL505020 0.81 GRM5 (0.48) GRM5HSD17B10NPC1PKMRAB9A
SCHEMBL10250744 0.80 GRM5 (0.47) GRM5HSD17B10NPC1PKMRAB9A
SCHEMBL505165 0.80 GRM5 (0.53) GRM5ADRA1AHSD17B10NPC1PKM

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 1/4885ADRA1A 1524/4885PDE4A 1362/4885

“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.