SCHEMBL1897953

SCHEMBL1897953

O=C(Nc1ccc(N2C(=O)CCC2=O)c(Cl)c1)c1ccncn1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 14/20 0.73
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
GRM1 Q13255 4/20 0.50

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
SCHEMBL6914270 0.85 GRM4 (0.69) GRM4CYP1A2CYP2C9CYP2C19GRM1
SCHEMBL1897912 0.84 GRM4 (1.00) GRM4CYP1A2CYP2C9CYP2C19GRM1
SCHEMBL1895474 0.80 GRM1 (0.72) GRM4CYP1A2CYP2C9CYP2C19GRM1
SCHEMBL1894500 0.79 GRM4 (0.67) GRM4CYP1A2CYP2C9CYP2C19GRM1
SCHEMBL1902023 0.79 GRM4 (0.73) GRM4CYP1A2CYP2C9CYP2C19GRM1
SCHEMBL11712114 0.78 GRM4 (0.64) GRM4CYP1A2CYP2C9CYP2C19GRM1
SCHEMBL1513959 0.78 GRM4 (0.51) GRM4CYP1A2CYP2C9CYP2C19GRM1
SCHEMBL6914151 0.78 GRM4 (0.72) GRM4CYP1A2CYP2C9CYP2C19GRM1
SCHEMBL1897536 0.77 GRM4 (0.70) GRM4CYP1A2CYP2C9CYP2C19GRM1
SCHEMBL6914155 0.77 GRM4 (0.70) GRM4CYP1A2CYP2C9CYP2C19GRM1

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
US-8759377-B2 Substituted dioxopiperidines and dioxopyrrolidines as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-06-24 US disclosed
US-8759377-B2 Substituted dioxopiperidines and dioxopyrrolidines as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-06-24 US disclosed
US-8759377-B2 Substituted dioxopiperidines and dioxopyrrolidines as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-06-24 US disclosed
US-20110124663-A1 SUBSTITUTED DIOXOPIPERIDINES AND DIOXOPYRROLIDINES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2011-05-26 US disclosed
US-20110124663-A1 SUBSTITUTED DIOXOPIPERIDINES AND DIOXOPYRROLIDINES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2011-05-26 US disclosed
US-20110124663-A1 SUBSTITUTED DIOXOPIPERIDINES AND DIOXOPYRROLIDINES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2011-05-26 US 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-20110124663-A1 SUBSTITUTED DIOXOPIPERIDINES AND DIOXOPYRROLIDINES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRM4, GRIA4, GRIK4 GRM4 1/4885CYP1A2 2576/4885CYP2C9 3219/4885

“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.