SCHEMBL10285446

SCHEMBL10285446

CC1=NC(c2nc3c(o2)CCCN(c2ccccn2)C3)CS1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
NTSR1 P30989 1/20 0.32
HTT P42858 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
SCHEMBL505439 0.75 GRM5 (0.49) GRM5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL505039 0.68 GRM5 (0.56) GRM5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10253678 0.67 ACHE (0.55) GRM5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL505403 0.67 GRM5 (0.57) GRM5NPC1RAB9AALDH1A1KDM4E
SCHEMBL504681 0.66 GRM5 (0.51) GRM5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL504787 0.66 GRM5 (0.64) GRM5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL505226 0.66 GRM5 (0.77) GRM5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL505316 0.65 ACHE (0.57) GRM5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21047722 0.65 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL504881 0.64 GRM5 (0.58) GRM5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885GRIN2D 25/4885GRIN3B 23/4885

“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.