SCHEMBL17935928

SCHEMBL17935928

CC(=O)N1CCC(c2nsc3cc(Nc4n[nH]c5ncccc45)ccc23)CC1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 20/20 0.79
▸ CYP1A2 P05177 3/20 0.79

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
SCHEMBL17935927 0.89 GRM4 (0.80) GRM4CYP1A2
SCHEMBL17935848 0.88 GRM4 (1.00) GRM4CYP1A2
SCHEMBL17935947 0.79 GRM4 (1.00) GRM4CYP1A2
SCHEMBL17935944 0.78 GRM4 (0.81) GRM4CYP1A2
SCHEMBL19798297 0.77 GRM4 (0.92) GRM4CYP1A2
SCHEMBL18324978 0.77 GRM4 (0.52) GRM4CYP1A2
SCHEMBL17927665 0.76 GRM4 (0.84) GRM4CYP1A2
SCHEMBL17935948 0.76 GRM4 (1.00) GRM4CYP1A2
SCHEMBL19798285 0.75 GRM4 (0.59) GRM4CYP1A2
SCHEMBL17935843 0.74 GRM4 (0.76) 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-10221172-B2 Benzothiazole and benzisothiazole-substituted compounds as mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2019-03-05 — — US disclosed
US-20180022744-A1 BENZOTHIAZOLE AND BENZISOTHIAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2018-01-25 — — US disclosed
US-20180022744-A1 BENZOTHIAZOLE AND BENZISOTHIAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2018-01-25 — — US disclosed
WO-2016115272-A1 BENZOTHIAZOLE AND BENZISOTHIAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2016-07-21 — — 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 (2 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-20180022744-A1 BENZOTHIAZOLE AND BENZISOTHIAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRM4, GRIK4, GRIA4 GRM4 1/4885CYP1A2 3592/4885
US-10221172-B2 Benzothiazole and benzisothiazole-substituted compounds as mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction GRM4, GRIK4, GRIA4 GRM4 1/4885CYP1A2 3592/4885

“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.

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