SCHEMBL504804

SCHEMBL504804

Clc1cccc(N2CCCc3oc(-c4ccncn4)nc3C2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.59
KCNH2 Q12809 2/20 0.38
CAMK2D Q13557 1/20 0.38
GSK3B P49841 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
DHFR P00374 1/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 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
SCHEMBL505744 0.94 GRM5 (0.59) GRM5KCNH2GSK3B
SCHEMBL504824 0.89 GRM5 (0.74) GRM5KCNH2SMN1; SMN2RAB9A
SCHEMBL10250274 0.88 GRM5 (0.59) GRM5KCNH2MAPTSMN1; SMN2DHFR
SCHEMBL505033 0.88 GRM5 (0.59) GRM5KCNH2GSK3BDHFR
SCHEMBL505512 0.87 GRM5 (0.58) GRM5KCNH2CAMK2DMAPTSMN1; SMN2
SCHEMBL504821 0.84 GRM5 (0.64) GRM5KCNH2
SCHEMBL505310 0.82 GRM5 (0.77) GRM5SMN1; SMN2RAB9A
SCHEMBL10250028 0.81 GRM5 (0.59) GRM5KCNH2DHFR
SCHEMBL505458 0.81 GRM5 (0.59) GRM5KCNH2GSK3B
SCHEMBL504852 0.80 GRM5 (0.58) 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 1/4885KCNH2 3375/4885CAMK2D 187/4885

“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.