SCHEMBL19793203

SCHEMBL19793203

CCC(CC)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 20/20 1.00
CYP1A2 P05177 6/20 1.00
CYP2C9 P11712 1/20 0.53

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
SCHEMBL19793239 0.89 GRM4 (1.00) GRM4CYP1A2CYP2C9
SCHEMBL19793210 0.87 GRM4 (0.79) GRM4CYP1A2
SCHEMBL19793204 0.87 GRM4 (0.76) GRM4CYP1A2
SCHEMBL19793202 0.86 GRM4 (0.75) GRM4CYP1A2
SCHEMBL19793028 0.85 GRM4 (0.81) GRM4CYP1A2CYP2C9
SCHEMBL19793249 0.85 GRM4 (0.81) GRM4CYP1A2CYP2C9
SCHEMBL19793081 0.85 GRM4 (0.74) GRM4CYP1A2CYP2C9
SCHEMBL19792950 0.85 GRM4 (1.00) GRM4CYP1A2
SCHEMBL19793047 0.84 GRM4 (0.77) GRM4CYP1A2CYP2C9
SCHEMBL19793155 0.84 GRM4 (0.73) GRM4CYP1A2

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-9980945-B2 Benzoisoxazole-substituted compounds as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2018-05-29 US disclosed
US-9980945-B2 Benzoisoxazole-substituted compounds as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2018-05-29 US disclosed
US-20180021312-A1 BENZOISOXAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2018-01-25 US disclosed
US-20180021312-A1 BENZOISOXAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2018-01-25 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-20180021312-A1 BENZOISOXAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRIK4, GRM4, GRM1 GRM4 2/4885CYP1A2 3387/4885CYP2C9 2913/4885

“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.