SCHEMBL505041

SCHEMBL505041

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.45
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CLK4 Q9HAZ1 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA4 P43681 1/20 0.38
PDE4D Q08499 3/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
USP30 Q70CQ3 1/20 0.35
PDE10A Q9Y233 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL505070 0.92 GRM5 (0.43) GRM5NPC1ALDH1A1HPGDRAB9A
SCHEMBL505094 0.91 GRM5 (0.42) GRM5NPC1ALDH1A1HPGDRAB9A
SCHEMBL10285529 0.89 GRM5 (0.44) GRM5USP30GPR119
SCHEMBL505117 0.89 GRM5 (0.46) GRM5NPC1ALDH1A1HPGDRAB9A
SCHEMBL505401 0.89 GRM5 (0.44) GRM5NPC1ALDH1A1HPGDRAB9A
SCHEMBL505666 0.89 GRM5 (0.56) GRM5NPC1ALDH1A1HPGDRAB9A
SCHEMBL10250544 0.87 GRM5 (0.42) GRM5NPC1RAB9ASMN1; SMN2USP30
SCHEMBL505519 0.87 RAB9A (0.45) GRM5NPC1ALDH1A1HPGDRAB9A
SCHEMBL505982 0.84 GRM5 (0.46) GRM5ALDH1A1HPGDGPR119
SCHEMBL10250324 0.84 GRM5 (0.46) GRM5NPC1ALDH1A1HPGDRAB9A

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 4 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
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 1427/4885ALDH1A1 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.