SCHEMBL505191

SCHEMBL505191

N#Cc1cccc(-c2nc3c(o2)CC(c2cccc(C#N)c2)CC3)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.42
DRD2 P14416 5/20 0.41
DRD3 P35462 5/20 0.41
GRM5 P41594 3/20 0.41
NOTUM Q6P988 1/20 0.40
USP30 Q70CQ3 3/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA5 P30532 1/20 0.37
CHRNA4 P43681 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 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
SCHEMBL506119 0.91 DRD2 (0.41) GPR119DRD2DRD3GRM5NOTUM
SCHEMBL505796 0.90 GSK3A (0.42) GPR119DRD2DRD3GRM5USP30
SCHEMBL10251607 0.90 GPR119 (0.38) GPR119DRD2DRD3GRM5NOTUM
SCHEMBL505828 0.90 CHRNB2 (0.45) GPR119DRD2DRD3GRM5CHRNB2
SCHEMBL504878 0.84 GRM5 (0.58) DRD2DRD3GRM5
SCHEMBL505076 0.84 GRM5 (0.51) GPR119GRM5USP30
SCHEMBL505070 0.82 GRM5 (0.43) GPR119GRM5CHRNB2CHRNA5CHRNA4
SCHEMBL10251622 0.81 DRD2 (0.36) GPR119DRD2DRD3GRM5NOTUM
SCHEMBL505615 0.81 GRM5 (0.42) DRD2DRD3GRM5USP30CTSS
SCHEMBL505398 0.81 GRM5 (0.36) GPR119DRD2DRD3GRM5

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 5 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
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 GPR119 94/4885DRD2 979/4885DRD3 1534/4885

“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.