SCHEMBL10249988

SCHEMBL10249988

[C-]#[N+]c1cccc(-c2nc3c(o2)CN(c2ncccc2C#N)CC3)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.65
ACHE P22303 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL10250365 0.93 GRM5 (0.74) GRM5ACHEKDM4EALDH1A1MAPT
SCHEMBL504613 0.88 GRM5 (0.70) GRM5GPR119
SCHEMBL504760 0.87 GRM5 (0.69) GRM5ACHEKDM4EALDH1A1MAPT
SCHEMBL505362 0.85 GRM5 (0.84) GRM5GPR119TRPV1KDM4EALDH1A1
SCHEMBL504960 0.84 GRM5 (0.65) GRM5KDM4EALDH1A1MAPT
SCHEMBL504589 0.81 GRM5 (0.80) GRM5
SCHEMBL10250911 0.81 GRM5 (0.46) GRM5ACHEGPR119KDM4EMAPT
SCHEMBL10250914 0.80 GRM5 (0.63) GRM5GPR119
SCHEMBL504981 0.79 GRM5 (0.80) GRM5ACHEKDM4EALDH1A1MAPT
SCHEMBL504286 0.79 GRM5 (1.00) GRM5TRPV1KDM4EALDH1A1MAPT

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 1/4885ACHE 611/4885GPR119 94/4885

“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.