SCHEMBL21590631

SCHEMBL21590631

Cc1ccc(-c2noc(C)c2Cn2ncc(N3CCC4(CCOCC4)CC3)cc2=O)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
GABRA1 P14867 9/20 0.38
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
LRRK2 Q5S007 1/20 0.31
GABRA5 P31644 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
USP2 O75604 1/20 0.30
HIF1A Q16665 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
SCHEMBL30694850 1.00 L3MBTL1 (0.40) L3MBTL1GABRA1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL23150868 0.87 GABRA1 (0.43) L3MBTL1GABRA1
SCHEMBL21590929 0.86 L3MBTL1 (0.36) L3MBTL1GABRA1HCRTR1HCRTR2
SCHEMBL21590448 0.83 GABRA1 (0.34) L3MBTL1GABRA1HCRTR1HCRTR2
SCHEMBL21590994 0.82 GABRA1 (0.34) L3MBTL1GABRA1
SCHEMBL21590519 0.82 GABRA1 (0.34) L3MBTL1GABRA1
SCHEMBL21593304 0.82 GABRA1 (0.39) L3MBTL1GABRA1HCRTR1HCRTR2GABRA5
SCHEMBL21590556 0.82 GABRA1 (0.35) L3MBTL1GABRA1HCRTR1HCRTR2
SCHEMBL30694835 0.82 GABRA1 (0.39) L3MBTL1GABRA1HCRTR1HCRTR2GABRA5
SCHEMBL23150905 0.82 GABRA1 (0.38) L3MBTL1GABRA1GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 4/4885ALDH1A1 1215/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 L3MBTL1 2470/4885GABRA1 4/4885ALDH1A1 1579/4885

“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.