SCHEMBL30694841

SCHEMBL30694841

Cc1onc(-c2ccc(Cl)nc2)c1Cn1ncc(N2C[C@@H](O)[C@H]2C)cc1=O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 17/20 0.38
TAS2R8 Q9NYW2 2/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL21590977 1.00 GABRA1 (0.38) GABRA1TAS2R8GABRA5
SCHEMBL30694896 1.00 GABRA1 (0.38) GABRA1TAS2R8GABRA5
SCHEMBL23150882 1.00 GABRA1 (0.38) GABRA1TAS2R8GABRA5
SCHEMBL21590745 0.91 GABRA1 (0.43) GABRA1
SCHEMBL21590902 0.91 GABRA1 (0.43) GABRA1
SCHEMBL21590900 0.88 GABRA1 (0.37) GABRA1GABRA5
SCHEMBL30694843 0.88 GABRA1 (0.37) GABRA1GABRA5
SCHEMBL21593337 0.87 GABRA1 (0.39) GABRA1TAS2R8GABRA5
SCHEMBL21590915 0.87 GABRA1 (0.36) GABRA1
SCHEMBL21590739 0.87 GABRA1 (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 US claimed
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 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-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM GABRA5, GABRA2, GABRB2 GABRA1 4/4885TAS2R8 553/4885GABRA5 1/4885

“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.