SCHEMBL30096040

SCHEMBL30096040

Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)O)nn2)cn1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.83

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
SCHEMBL20241263 1.00 GABRA1 (0.83) GABRA1
SCHEMBL29421359 0.91 GABRA1 (1.00) GABRA1
SCHEMBL20258900 0.91 GABRA1 (1.00) GABRA1
SCHEMBL20241117 0.90 GABRA1 (0.80) GABRA1
SCHEMBL30592850 0.90 GABRA1 (0.80) GABRA1
SCHEMBL20241232 0.90 GABRA1 (0.80) GABRA1
SCHEMBL30592767 0.90 GABRA1 (0.80) GABRA1
SCHEMBL20241181 0.89 GABRA1 (1.00) GABRA1
SCHEMBL21403992 0.89 GABRA1 (0.74) GABRA1
SCHEMBL30592635 0.89 GABRA1 (1.00) GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285525-A Novel isoxazolyl ether derivatives as GABAA alpha 5PAM 豪夫迈·罗氏有限公司 2023-12-26 CN disclosed
CN-109923113-B Isoxazolyl ether derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2023-10-13 CN disclosed
US-20220411415-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2022-12-29 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-20220411415-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB1, GABRA1 GABRA1 3/4885

“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.