SCHEMBL505828

SCHEMBL505828

N#Cc1cccc(C2CCc3nc(-c4cccnc4)oc3C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.45
CHRNA5 P30532 2/20 0.45
CHRNA4 P43681 2/20 0.45
CYP11B2 P19099 5/20 0.40
CYP11B1 P15538 3/20 0.40
CYP17A1 P05093 1/20 0.40
GPR119 Q8TDV5 5/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GRM5 P41594 2/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CCNC P24863 1/20 0.37
HTT P42858 1/20 0.37
CDK8 P49336 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CDK19 Q9BWU1 1/20 0.37
NEK1 Q96PY6 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
SCHEMBL505191 0.90 GPR119 (0.42) CHRNB2CHRNA5CHRNA4GPR119GRM5
SCHEMBL505796 0.89 GSK3A (0.42) GPR119GRM5DRD2DRD3
SCHEMBL10250301 0.85 NPC1 (0.45) GPR119ALDH1A1KDM4ETP53HSD17B10
SCHEMBL10251607 0.82 GPR119 (0.38) GPR119GRM5DRD2DRD3
SCHEMBL506119 0.81 DRD2 (0.41) CHRNB2CHRNA5CHRNA4GPR119ALDH1A1
SCHEMBL504878 0.81 GRM5 (0.58) ALDH1A1GRM5DRD2DRD3KDM4E
SCHEMBL505707 0.81 GSK3A (0.42) GRM5DRD2DRD3
SCHEMBL505615 0.78 GRM5 (0.42) GRM5DRD2DRD3
SCHEMBL505716 0.78 GRM5 (0.46) GRM5DRD2DRD3
SCHEMBL505833 0.78 GRM5 (0.44) GRM5DRD2DRD3

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 CHRNB2 193/4885CHRNA5 53/4885CHRNA4 132/4885

“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.