SCHEMBL30694840

SCHEMBL30694840

COC1CCN(c2cnn(Cc3c(-c4ccc(C)nc4)noc3C)c(=O)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.46

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
SCHEMBL21590616 1.00 GABRA1 (0.46) GABRA1
SCHEMBL21593336 0.92 GABRA1 (0.39) GABRA1
SCHEMBL21590713 0.92 GABRA1 (0.50) GABRA1
SCHEMBL21590682 0.89 GABRA1 (0.44) GABRA1
SCHEMBL30694848 0.89 GABRA1 (0.46) GABRA1
SCHEMBL21590700 0.89 GABRA1 (0.46) GABRA1
SCHEMBL23169040 0.88 GABRA1 (0.44) GABRA1
SCHEMBL21590674 0.88 GABRA1 (0.45) GABRA1
SCHEMBL21590658 0.88 GABRA1 (0.42) GABRA1
SCHEMBL30694879 0.88 GABRA1 (0.45) 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 1 patent. 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

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 4/4885

“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.