SCHEMBL504748

SCHEMBL504748

O=C(OCc1ccccc1)N1CCc2nc(-c3ccccc3Cl)oc2C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.49
KDR P35968 1/20 0.48
DHFR P00374 1/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL504497 0.86 S1PR5 (0.48) PTGDR2KDRDHFRKMT2AMEN1
SCHEMBL31004945 0.82 DHFR (0.47) PTGDR2KDRDHFRKMT2AMEN1
SCHEMBL504525 0.82 GRM5 (0.56) KDRDHFRKMT2AMEN1NPSR1
SCHEMBL504611 0.80 CYP2C9 (0.50) PTGDR2KDRDHFRKMT2AMEN1
SCHEMBL31004923 0.80 PTGDR2 (0.44) PTGDR2KDRDHFRTMEM97SIGMAR1
SCHEMBL17984429 0.80 PTGDR2 (0.49) PTGDR2KDRDHFR
SCHEMBL504967 0.79 GRM5 (0.47) KDRDHFRKMT2AMEN1NPSR1
SCHEMBL504820 0.78 GRM5 (0.54) PTGDR2KDRDHFRKMT2AMEN1
SCHEMBL158187 0.78 GRM5 (0.61)
SCHEMBL504930 0.77 GRM5 (0.50) KDRDHFRKMT2AMEN1NPSR1

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 PTGDR2 322/4885KDR 3405/4885DHFR 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.