SCHEMBL505282

SCHEMBL505282

O=C(OCc1ccccc1)N1CCc2oc(-c3ncco3)nc2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 2/20 0.48
FAAH O00519 1/20 0.46
DHFR P00374 1/20 0.44
GRM5 P41594 6/20 0.44
KCNH2 Q12809 1/20 0.43
KDR P35968 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TMEM97 Q5BJF2 3/20 0.43
SIGMAR1 Q99720 3/20 0.43
GRIN2B Q13224 2/20 0.42
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
PTGDR2 Q9Y5Y4 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
SCHEMBL505215 0.85 GRM5 (0.56) S1PR5DHFRGRM5KCNH2GRIN2B
SCHEMBL504679 0.84 S1PR5 (0.52) S1PR5DHFRGRM5KCNH2KDR
SCHEMBL23012259 0.84 S1PR5 (0.48) S1PR5DHFRGRM5KCNH2KDR
SCHEMBL29479760 0.84 S1PR5 (0.48) S1PR5DHFRGRM5KCNH2KDR
SCHEMBL17377166 0.82 DHFR (0.49) DHFRGRM5KDRMEN1KMT2A
SCHEMBL29479674 0.81 S1PR5 (0.47) S1PR5DHFRGRM5KCNH2KDR
SCHEMBL505451 0.80 GRM5 (0.52) S1PR5GRM5KCNH2MEN1KMT2A
SCHEMBL20775591 0.79 S1PR5 (0.50) S1PR5PTGDR2
SCHEMBL505382 0.79 PPARA (0.50) S1PR5DHFRGRM5KDRMEN1
SCHEMBL505149 0.79 GRM5 (0.49) S1PR5DHFRGRM5KDRMEN1

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 6 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
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
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 S1PR5 476/4885FAAH 585/4885DHFR 550/4885

“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.