SCHEMBL504779

SCHEMBL504779

COc1ccc(-c2nc3c(o2)CCN(c2ncccc2C#N)C3)cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.78
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.55
DRD2 P14416 3/20 0.48
HTR2A P28223 2/20 0.48
HSD17B10 Q99714 4/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
S1PR5 Q9H228 1/20 0.39
POLB P06746 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
SCHEMBL505000 0.90 GRM5 (0.74) GRM5ALDH1A1MAPTDRD2HTR2A
SCHEMBL10250015 0.89 GRM5 (0.83) GRM5ALDH1A1MAPTDRD2HSD17B10
SCHEMBL504583 0.88 GRM5 (1.00) GRM5ALDH1A1MAPTDRD2HTR2A
SCHEMBL505295 0.87 GRM5 (0.83) GRM5ALDH1A1MAPTDRD2HPGD
SCHEMBL504897 0.85 GRM5 (0.78) GRM5S1PR5
SCHEMBL504981 0.83 GRM5 (0.80) GRM5ALDH1A1MAPTHSD17B10HPGD
SCHEMBL504960 0.82 GRM5 (0.65) GRM5ALDH1A1MAPTDRD2HTR2A
SCHEMBL504589 0.82 GRM5 (0.80) GRM5
SCHEMBL504868 0.81 GRM5 (1.00) GRM5DRD2HTR2A
SCHEMBL10285806 0.81 GRM5 (0.78) GRM5ALDH1A1MAPTDRD2HTR2A

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 GRM5 1/4885ALDH1A1 1708/4885MAPT 819/4885

“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.