SCHEMBL505340

SCHEMBL505340

c1ccc(-c2nc3c(o2)CCN(c2cnccn2)C3)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.57
SLC6A7 Q99884 1/20 0.42
GPR119 Q8TDV5 5/20 0.41
DRD4 P21917 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
S1PR5 Q9H228 2/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL505363 0.91 GPR119 (0.50) GRM5SLC6A7GPR119DRD4LMNA
SCHEMBL10250482 0.88 GRM5 (0.45) GRM5LMNAL3MBTL1S1PR5
SCHEMBL504598 0.88 GRM5 (0.45) GRM5DRD4S1PR5KCNH2
SCHEMBL505396 0.87 ALDH1A1 (0.47) GRM5LMNAKCNH2
SCHEMBL504787 0.86 GRM5 (0.64) GRM5GPR119LMNA
SCHEMBL505334 0.85 GRM5 (0.43) GRM5LMNAL3MBTL1S1PR5
SCHEMBL504740 0.85 S1PR5 (0.44) GRM5S1PR5
SCHEMBL504788 0.78 GRM5 (0.55) GRM5KCNH2
SCHEMBL10253678 0.78 ACHE (0.55) GRM5LMNA
SCHEMBL505005 0.77 GRM5 (0.77) GRM5GPR119S1PR5

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
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
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 1/4885SLC6A7 131/4885GPR119 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.