SCHEMBL505229

SCHEMBL505229

N#Cc1cccnc1N1CCc2oc(-c3cccc(Cl)c3)nc2C1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.78
HDAC2 Q92769 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
ALOX15 P16050 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
MAOB P27338 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL504981 0.89 GRM5 (0.80) GRM5MEN1KMT2AALDH1A1HPGD
SCHEMBL504589 0.89 GRM5 (0.80) GRM5
SCHEMBL10285806 0.89 GRM5 (0.78) GRM5DRD2HTR2AALDH1A1KDM4E
SCHEMBL504739 0.88 GRM5 (0.60) GRM5MEN1KMT2AALOX15ALDH1A1
SCHEMBL504583 0.88 GRM5 (1.00) GRM5DRD2HTR2AALDH1A1HPGD
SCHEMBL505000 0.86 GRM5 (0.74) GRM5DRD2HTR2AHTR1AHTR7
SCHEMBL10250365 0.86 GRM5 (0.74) GRM5DRD2HTR2AALDH1A1KDM4E
SCHEMBL10250015 0.83 GRM5 (0.83) GRM5MEN1KMT2ADRD2ALDH1A1
SCHEMBL505295 0.83 GRM5 (0.83) GRM5DRD2ALDH1A1HPGDKDM4E
SCHEMBL504613 0.82 GRM5 (0.70) GRM5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885HDAC2 934/4885MEN1 3592/4885

“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.