SCHEMBL504584

SCHEMBL504584

Cc1cc(-c2nc3c(o2)CCN(C(=O)OCc2ccccc2)C3)on1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.44
GRM5 P41594 2/20 0.44
S1PR5 Q9H228 2/20 0.43
KDR P35968 1/20 0.43
TMEM97 Q5BJF2 7/20 0.43
SIGMAR1 Q99720 7/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
PPARA Q07869 1/20 0.42
PTGDR2 Q9Y5Y4 5/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL505382 0.82 PPARA (0.50) DHFRGRM5S1PR5KDRTMEM97
SCHEMBL17377166 0.82 DHFR (0.49) DHFRGRM5KDRTMEM97SIGMAR1
SCHEMBL504679 0.80 S1PR5 (0.52) DHFRGRM5S1PR5KDRTMEM97
SCHEMBL505215 0.79 GRM5 (0.56) DHFRGRM5S1PR5
SCHEMBL20296159 0.79 PTGDR2 (0.45) DHFRGRM5S1PR5KDRTMEM97
SCHEMBL30740274 0.79 PTGDR2 (0.45) DHFRGRM5S1PR5KDRTMEM97
SCHEMBL504656 0.79 DHFR (0.46) DHFRGRM5KDRTMEM97SIGMAR1
SCHEMBL20775591 0.79 S1PR5 (0.50) S1PR5PTGDR2
SCHEMBL10250503 0.78 DHFR (0.48) DHFRGRM5S1PR5KDRTMEM97
SCHEMBL505282 0.78 S1PR5 (0.48) DHFRGRM5S1PR5KDRTMEM97

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
EP-2414340-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-02-08 EP 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 DHFR 550/4885GRM5 1/4885S1PR5 476/4885

“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.