SCHEMBL505512

SCHEMBL505512

Clc1cccc(N2CCCc3oc(-c4cnccn4)nc3C2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.58
TERT O14746 1/20 0.39
KCNH2 Q12809 3/20 0.38
CAMK2D Q13557 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DHFR P00374 1/20 0.36

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
SCHEMBL504852 0.94 GRM5 (0.58) GRM5TERTKCNH2
SCHEMBL10250275 0.88 GRM5 (0.58) GRM5KCNH2MAPTSMN1; SMN2NPSR1
SCHEMBL504874 0.88 GRM5 (0.58) GRM5KCNH2DHFR
SCHEMBL504824 0.88 GRM5 (0.74) GRM5KCNH2ALDH1A1TP53HPGD
SCHEMBL504804 0.87 GRM5 (0.59) GRM5KCNH2CAMK2DMAPTLMNA
SCHEMBL504821 0.83 GRM5 (0.64) GRM5KCNH2
SCHEMBL10250035 0.82 GRM5 (0.58) GRM5KCNH2MAPTNPSR1
SCHEMBL505080 0.82 GRM5 (0.58) GRM5KCNH2
SCHEMBL505310 0.81 GRM5 (0.77) GRM5ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL505744 0.81 GRM5 (0.59) GRM5KCNH2

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 3 patents. 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
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

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 1/4885TERT 4787/4885KCNH2 3375/4885

“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.