SCHEMBL504497

SCHEMBL504497

O=C(OCc1ccccc1)N1CCc2nc(-c3ccc(Cl)cc3)oc2C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 3/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
DHFR P00374 1/20 0.47
KDR P35968 1/20 0.46
PTGDR2 Q9Y5Y4 11/20 0.45
PPARA Q07869 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
TRPC3 Q13507 1/20 0.42
TRPC7 Q9HCX4 1/20 0.42

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
SCHEMBL17984429 0.87 PTGDR2 (0.49) S1PR5S1PR1DHFRKDRPTGDR2
SCHEMBL504748 0.86 PTGDR2 (0.49) DHFRKDRPTGDR2MEN1KMT2A
SCHEMBL504611 0.84 CYP2C9 (0.50) S1PR5DHFRKDRPTGDR2PPARA
SCHEMBL504525 0.82 GRM5 (0.56) DHFRKDRMEN1KMT2ANPSR1
SCHEMBL504820 0.82 GRM5 (0.54) S1PR5DHFRKDRPTGDR2PPARA
SCHEMBL504679 0.81 S1PR5 (0.52) S1PR5S1PR1S1PR3DHFRKDR
SCHEMBL17982156 0.81 S1PR5 (0.46) S1PR5PTGDR2PPARAMEN1KMT2A
SCHEMBL20775591 0.80 S1PR5 (0.50) S1PR5S1PR1S1PR3PTGDR2
SCHEMBL504967 0.79 GRM5 (0.47) DHFRKDRPPARAMEN1KMT2A
SCHEMBL158187 0.78 GRM5 (0.61)

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 S1PR5 476/4885S1PR1 1135/4885S1PR3 1018/4885

“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.