SCHEMBL505805

SCHEMBL505805

O=C(NC1CC(c2ccc(F)cc2Cl)CCC1O)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRM5 P41594 6/20 0.45
GRM4 Q14833 2/20 0.43
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CRBN Q96SW2 1/20 0.40
TNKS2 Q9H2K2 2/20 0.40
TNKS O95271 1/20 0.40
MEN1 O00255 1/20 0.40
DHODH Q02127 3/20 0.39
P2RX7 Q99572 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
SCHEMBL505216 0.87 GRM5 (0.50) KMT2AGAASMN1; SMN2GRM5GRM4
SCHEMBL505314 0.82 KMT2A (0.49) KMT2AGAASMN1; SMN2GRM5GRM4
SCHEMBL505114 0.77 GRM5 (0.47) KMT2AGAASMN1; SMN2GRM5GRM4
SCHEMBL30043283 0.71 GRM5 (0.61) GAAGRM5CRBN
SCHEMBL30044005 0.71 GRM5 (0.65) GAASMN1; SMN2GRM5ALDH1A1L3MBTL1
SCHEMBL30044931 0.71 GRM5 (0.65) GAASMN1; SMN2GRM5ALDH1A1L3MBTL1
SCHEMBL30043261 0.71 GRM5 (0.65) GAASMN1; SMN2GRM5ALDH1A1L3MBTL1
SCHEMBL30044693 0.71 GRM5 (0.61) GAAGRM5CRBN
SCHEMBL30975217 0.71 GRM5 (0.65) GAASMN1; SMN2GRM5ALDH1A1L3MBTL1
SCHEMBL30043552 0.71 GRM5 (0.61) GAAGRM5CRBN

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 KMT2A 1661/4885GAA 1009/4885SMN1; SMN2 184/4885

“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.