SCHEMBL21590929

SCHEMBL21590929

Cc1ccc(-c2noc(C)c2Cn2ncc(N3CCC4(CCCCO4)CC3)cc2=O)nn1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
GABRA1 P14867 3/20 0.35
JAK2 O60674 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
KCNH2 Q12809 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL21590556 0.93 GABRA1 (0.35) L3MBTL1GABRA1HCRTR1HCRTR2
SCHEMBL21593306 0.93 GABRA1 (0.34) L3MBTL1GABRA1HCRTR1HCRTR2
SCHEMBL21590448 0.91 GABRA1 (0.34) L3MBTL1GABRA1HCRTR1HCRTR2
SCHEMBL21590519 0.87 GABRA1 (0.34) L3MBTL1GABRA1
SCHEMBL21590994 0.87 GABRA1 (0.34) L3MBTL1GABRA1
SCHEMBL23169060 0.87 L3MBTL1 (0.37) L3MBTL1HCRTR1HCRTR2
SCHEMBL21590631 0.86 L3MBTL1 (0.40) L3MBTL1GABRA1HCRTR1HCRTR2
SCHEMBL30694850 0.86 L3MBTL1 (0.40) L3MBTL1GABRA1HCRTR1HCRTR2
SCHEMBL21590449 0.85 GABRA1 (0.37) L3MBTL1GABRA1
SCHEMBL21590842 0.85 L3MBTL1 (0.33) L3MBTL1

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 10 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-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US claimed
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 US disclosed
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 US disclosed
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
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
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 L3MBTL1 3857/4885GABRA1 4/4885JAK2 1077/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 L3MBTL1 2470/4885GABRA1 4/4885JAK2 1405/4885

“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.