SCHEMBL1514031

SCHEMBL1514031

O=C(Nc1ccc(N2C(=O)NC3(CCCCCC3)C2=O)c(Cl)c1)c1ccccn1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 15/20 0.71
GRM1 Q13255 3/20 0.60
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL1513880 1.00 GRM4 (0.71) GRM4GRM1CYP1A2CYP2C9CYP2C19
SCHEMBL1513986 0.99 GRM4 (0.69) GRM4GRM1CYP1A2CYP2C9CYP2C19
SCHEMBL1513890 0.97 GRM4 (0.67) GRM4GRM1CYP1A2CYP2C9CYP2C19
SCHEMBL12700797 0.90 GRM4 (0.58) GRM4GRM1CYP1A2CYP2C9CYP2C19
SCHEMBL12695716 0.89 GRM4 (0.57) GRM4GRM1CYP1A2CYP2C9CYP2C19
SCHEMBL12543278 0.87 GRM4 (0.61) GRM4GRM1CYP1A2CYP2C9CYP2C19
SCHEMBL1513936 0.87 GRM4 (0.70) GRM4GRM1CYP1A2CYP2C9CYP2C19
SCHEMBL1514071 0.87 GRM4 (0.54) GRM4GRM1CYP1A2CYP2C9CYP2C19
SCHEMBL1898799 0.83 GRM4 (1.00) GRM4GRM1CYP1A2CYP2C9CYP2C19
SCHEMBL1899539 0.83 GRM4 (0.79) GRM4GRM1CYP1A2CYP2C9CYP2C19

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779157-B2 MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-07-15 US disclosed
US-8779157-B2 MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-07-15 US disclosed
US-8779157-B2 MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-07-15 US disclosed
US-20120245153-A1 MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2012-09-27 US disclosed
US-20120245153-A1 MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2012-09-27 US disclosed
US-20120245153-A1 MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2012-09-27 US disclosed
EP-2473055-A1 MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION Vanderbilt University (US) 2012-07-11 EP disclosed
WO-2011029104-A1 MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2011-03-10 WO disclosed
WO-2011029104-A1 MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2011-03-10 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-20120245153-A1 MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRM4, GRIK4, GRM2 GRM4 1/4885GRM1 4/4885CYP1A2 4510/4885

“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.