SCHEMBL21590882

SCHEMBL21590882

Cc1onc(-c2ccc(C(F)(F)F)nc2)c1Cn1ncc(N2CC(C)OC(C)C2)cc1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.39
PIK3CD O00329 2/20 0.34
CXCR3 P49682 1/20 0.34
KCNH2 Q12809 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
SYK P43405 1/20 0.33
SSTR5 P35346 1/20 0.33
GABRA5 P31644 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
P2RX7 Q99572 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SLC34A1 Q06495 1/20 0.32
LMNA P02545 1/20 0.32
PDE1B Q01064 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
SCHEMBL21590878 1.00 GABRA1 (0.39) GABRA1PIK3CDCXCR3KCNH2TRPV1
SCHEMBL23150901 0.91 GABRA1 (0.41) GABRA1CXCR3KCNH2SSTR5GABRA5
SCHEMBL21590483 0.89 GABRA1 (0.42) GABRA1
SCHEMBL21590945 0.89 GABRA1 (0.42) GABRA1
SCHEMBL23150883 0.89 GABRA1 (0.42) GABRA1
SCHEMBL21590742 0.89 GABRA1 (0.42) GABRA1
SCHEMBL21590573 0.87 GABRA1 (0.37) GABRA1GABRA5LMNAPDE1B
SCHEMBL21593268 0.87 GABRA1 (0.37) GABRA1GABRA5LMNAPDE1B
SCHEMBL21590637 0.86 GABRA5 (0.40) KCNH2GABRA5LMNA
SCHEMBL21590635 0.86 GABRA5 (0.40) KCNH2GABRA5LMNA

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
CN-112424196-A Novel isoxazolyl ether derivatives as GABAA alpha 5 PAM 豪夫迈·罗氏有限公司 2021-02-26 CN 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 4/4885PIK3CD 1231/4885CXCR3 632/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 GABRA1 4/4885PIK3CD 1311/4885CXCR3 1057/4885

“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.