SCHEMBL21590610

SCHEMBL21590610

O=C(ON1CC(Oc2cccc(F)c2)C1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.47
ABHD6 Q9BV23 3/20 0.47
FAAH O00519 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 9/20 0.41
LIPG Q9Y5X9 1/20 0.40
SCN9A Q15858 1/20 0.39
MLNR O43193 2/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL9595545 0.86 SLC6A2 (0.48) MGLLABHD6FAAHSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL29073721 0.82 MGLL (0.47) MGLLABHD6FAAHSLC6A2SLC6A4
SCHEMBL27037272 0.77 LIPG (0.39) LIPG
SCHEMBL26597825 0.76 MGLL (0.49) MGLLABHD6FAAHSLC6A2SLC6A4
SCHEMBL22462899 0.76 EPHX2 (0.41) LIPG
SCHEMBL21590503 0.76 GRIN1 (0.43) SLC6A2SLC6A3SCN9A
SCHEMBL28624652 0.76 CHRM3 (0.45) LIPG
SCHEMBL14874064 0.75 USP30 (0.54) MGLLABHD6FAAHSLC6A2SLC6A4
SCHEMBL9597353 0.75 SLC6A2 (0.51) MGLLABHD6FAAHSLC6A2SLC6A4
SCHEMBL9596821 0.75 SLC6A2 (0.51) MGLLABHD6SLC6A2SLC6A4SLC6A3

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 MGLL 4522/4885ABHD6 4534/4885FAAH 3820/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 MGLL 4390/4885ABHD6 4507/4885FAAH 3099/4885

“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.