SCHEMBL504898

SCHEMBL504898

CC1Cc2nc(-c3ccccn3)oc2CN1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.45
HTR2C P28335 1/20 0.40
GRIN2B Q13224 3/20 0.40
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
S1PR5 Q9H228 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 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
SCHEMBL505281 0.82 GRM5 (0.48) GRM5GRIN2BS1PR5CYP2D6CYP2C9
SCHEMBL504525 0.80 GRM5 (0.56) GRM5GRIN2BCYP2C9
SCHEMBL504930 0.78 GRM5 (0.50) GRM5GRIN2BCYP2D6CYP2C9
SCHEMBL505215 0.78 GRM5 (0.56) GRM5GRIN2BS1PR5
SCHEMBL504528 0.77 GRIN2B (0.44) GRM5HTR2CGRIN2BCYP2D6CYP2C9
SCHEMBL7880001 0.77 GRM5 (0.52) GRM5GRIN2BS1PR5CYP2D6CYP2C9
SCHEMBL505451 0.76 GRM5 (0.52) GRM5GRIN2BS1PR5
SCHEMBL31114244 0.72 HTR2C (0.57) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL14209521 0.72 HTR2C (0.57) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL504967 0.71 GRM5 (0.47) GRM5GRIN2BCYP2D6CYP2C9

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 1/4885HTR2C 236/4885GRIN2B 15/4885

“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.