SCHEMBL1897912

SCHEMBL1897912

O=C(Nc1ccc(N2C(=O)CCC2=O)c(Cl)c1)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 15/20 1.00
CYP1A2 P05177 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
GRM1 Q13255 3/20 0.68

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
SCHEMBL1971777 0.85 GRM4 (1.00) GRM4CYP2C9GRM1
SCHEMBL1899539 0.85 GRM4 (0.79) GRM4CYP1A2CYP2C9CYP2C19GRM1
SCHEMBL1972220 0.84 GRM4 (0.82) GRM4CYP1A2CYP2C9CYP2C19GRM1
SCHEMBL1902023 0.84 GRM4 (0.73) GRM4CYP1A2CYP2C9CYP2C19GRM1
SCHEMBL1897953 0.84 GRM4 (0.73) GRM4CYP1A2CYP2C9CYP2C19GRM1
SCHEMBL1513878 0.84 GRM4 (0.72) GRM4CYP1A2CYP2C9CYP2C19GRM1
SCHEMBL6914151 0.84 GRM4 (0.72) GRM4CYP1A2CYP2C9CYP2C19GRM1
SCHEMBL1899283 0.83 GRM4 (1.00) GRM4CYP1A2CYP2C9CYP2C19GRM1
SCHEMBL1900749 0.83 GRM4 (0.78) GRM4CYP1A2CYP2C9CYP2C19GRM1
SCHEMBL1895474 0.83 GRM1 (0.72) 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.