SCHEMBL21590946

SCHEMBL21590946

Cc1onc(-c2ccc(Cl)nc2)c1Cn1ncc(N2CCC3(CCO3)CC2)cc1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 14/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
GABRA5 P31644 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
MRGPRX1 Q96LB2 1/20 0.32
SSTR5 P35346 1/20 0.32

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
SCHEMBL21590962 0.96 HCRTR1 (0.36) GABRA1L3MBTL1HCRTR1HCRTR2PTGDR2
SCHEMBL21593266 0.95 HCRTR1 (0.35) GABRA1L3MBTL1HCRTR1HCRTR2PTGDR2
SCHEMBL21590817 0.90 GABRA1 (0.35) GABRA1L3MBTL1HCRTR1HCRTR2
SCHEMBL21590816 0.90 GABRA1 (0.35) GABRA1L3MBTL1HCRTR1HCRTR2
SCHEMBL21590951 0.90 GABRA1 (0.35) GABRA1L3MBTL1HCRTR1HCRTR2
SCHEMBL30694835 0.89 GABRA1 (0.39) GABRA1L3MBTL1HCRTR1HCRTR2GABRA5
SCHEMBL21593304 0.89 GABRA1 (0.39) GABRA1L3MBTL1HCRTR1HCRTR2GABRA5
SCHEMBL21590894 0.89 GABRA1 (0.36) GABRA1L3MBTL1HCRTR1HCRTR2PTGDR2
SCHEMBL21590489 0.88 GABRA1 (0.42) GABRA1L3MBTL1HCRTR1HCRTR2PTGDR2
SCHEMBL21590909 0.88 GABRA1 (0.35) GABRA1L3MBTL1HCRTR1HCRTR2PTGDR2

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 7 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
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
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 GABRA1 4/4885L3MBTL1 3857/4885HCRTR1 833/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 GABRA1 4/4885L3MBTL1 2470/4885HCRTR1 775/4885

“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.