SCHEMBL5958005

SCHEMBL5958005

N[C@@H](C[C@@H](C/C=C/c1ccc(/N=N/c2ccccc2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 20/20 0.78
GRIK2 Q13002 20/20 0.78
GRIK3 Q13003 2/20 0.70

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
SCHEMBL5958061 1.00 GRIK1 (0.78) GRIK1GRIK2GRIK3
SCHEMBL5958288 1.00 GRIK1 (0.78) GRIK1GRIK2GRIK3
SCHEMBL594000 0.88 GRIK1 (1.00) GRIK1GRIK2GRIK3
SCHEMBL594001 0.88 GRIK1 (1.00) GRIK1GRIK2GRIK3
SCHEMBL594002 0.88 GRIK1 (1.00) GRIK1GRIK2GRIK3
SCHEMBL593999 0.88 GRIK1 (1.00) GRIK1GRIK2GRIK3
SCHEMBL6014568 0.80 GRIK1 (1.00) GRIK1GRIK2GRIK3
SCHEMBL5958122 0.80 GRIK1 (1.00) GRIK1GRIK2GRIK3
SCHEMBL5957897 0.75 PPARA (0.47) GRIK1GRIK2GRIK3
SCHEMBL5958165 0.75 PPARA (0.47) GRIK1GRIK2GRIK3

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-8178496-B2 Photoreactive regulator of glutamate receptor function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-15 US disclosed
US-8178496-B2 Photoreactive regulator of glutamate receptor function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-15 US disclosed
US-20090181454-A1 PHOTOREACTIVE REGULATOR OF GLUTAMATE RECEPTOR FUNCTION AND METHODS OF USE THEREOF ENERGY, UNITED STATE DEPARTMENT OF 2009-07-16 US disclosed
US-20090181454-A1 PHOTOREACTIVE REGULATOR OF GLUTAMATE RECEPTOR FUNCTION AND METHODS OF USE THEREOF ENERGY, UNITED STATE DEPARTMENT OF 2009-07-16 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-20090181454-A1 PHOTOREACTIVE REGULATOR OF GLUTAMATE RECEPTOR FUNCTION AND METHODS OF USE THEREOF GRM2, GRM1, GRM3 GRIK1 18/4885GRIK2 14/4885GRIK3 22/4885

“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.