SCHEMBL505117

SCHEMBL505117

Cc1cccc(-c2nc3c(o2)CCC(c2ncccc2C#N)C3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.46
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE10A Q9Y233 2/20 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
SCHEMBL505690 0.92 GRM5 (0.44) GRM5NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL505041 0.89 GRM5 (0.45) GRM5NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10250324 0.89 GRM5 (0.46) GRM5NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10285529 0.89 GRM5 (0.44) GRM5
SCHEMBL505401 0.89 GRM5 (0.44) GRM5NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL505666 0.88 GRM5 (0.56) GRM5NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL505519 0.88 RAB9A (0.45) GRM5NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10250544 0.86 GRM5 (0.42) GRM5NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL505982 0.83 GRM5 (0.46) GRM5NPSR1KDM4EALDH1A1HPGD
SCHEMBL7877295 0.83 SMN1; SMN2 (0.40) GRM5NPC1RAB9ASMN1; SMN2MAPT

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 1/4885NPC1 1427/4885RAB9A 1722/4885

“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.