SCHEMBL21590779

SCHEMBL21590779

Cc1onc(-c2ccc(C(F)(F)F)nn2)c1CO

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 11/20 0.34
MAPT P10636 1/20 0.34
GABRA1 P14867 4/20 0.33
P2RX7 Q99572 2/20 0.32
SCN9A Q15858 1/20 0.31

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
SCHEMBL21590867 0.86 GABRA5 (0.34) GABRA5MAPTGABRA1
SCHEMBL20259011 0.81 GABRA1 (0.44) GABRA5GABRA1
SCHEMBL21590966 0.78 GABRA5 (0.37) GABRA5GABRA1P2RX7
SCHEMBL20258903 0.77 GABRA1 (0.48) GABRA5GABRA1
SCHEMBL21590738 0.75 POLB (0.42) MAPT
SCHEMBL5772937 0.72 MAPT (0.54) GABRA5MAPT
SCHEMBL109043 0.71 GABRA5 (0.58) GABRA5
SCHEMBL21752829 0.70 GPBAR1 (0.49) GABRA5MAPTP2RX7
SCHEMBL3384501 0.70 P2RX7 (0.32) GABRA5MAPTP2RX7
SCHEMBL21590762 0.69 GABRA5 (0.45) GABRA5MAPTGABRA1SCN9A

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-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 US disclosed
EP-3807269-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2021-04-21 EP disclosed
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US disclosed
WO-2019238633-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 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-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM GABRA5, GABRA2, GABRB2 GABRA5 1/4885MAPT 2899/4885GABRA1 4/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 GABRA5 1/4885MAPT 1965/4885GABRA1 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.