SCHEMBL21590865

SCHEMBL21590865

Cc1onc(-c2ccc(Cl)nc2)c1Cn1ncc(N2CCN(c3cccnc3)CC2)cc1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.35
GABRA5 P31644 4/20 0.34
DCTPP1 Q9H773 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2B P41595 2/20 0.33
MRGPRX1 Q96LB2 2/20 0.33
HTR2C P28335 1/20 0.33
CYP2A6 P11509 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL21591006 0.91 GABRA1 (0.36) GABRA1GABRA5HTR2AHTR2BMRGPRX1
SCHEMBL30694886 0.89 GABRA1 (0.35) GABRA1GABRA5HTR2AHTR2BMRGPRX1
SCHEMBL21590861 0.89 GABRA1 (0.35) GABRA1GABRA5HTR2AHTR2BMRGPRX1
SCHEMBL21590585 0.89 GABRA1 (0.34) GABRA1HTR2AHTR2BMRGPRX1HTR2C
SCHEMBL21590468 0.86 GABRA1 (0.34) GABRA1GABRA5HTR2AHTR2BMRGPRX1
SCHEMBL21590443 0.86 GABRA1 (0.34) GABRA1HTR2AHTR2BMRGPRX1HTR2C
SCHEMBL21590463 0.85 GABRA1 (0.35) GABRA1GABRA5HTR2AHTR2BMRGPRX1
SCHEMBL21590919 0.85 GABRA1 (0.35) GABRA1GABRA5HTR2AHTR2BMRGPRX1
SCHEMBL21590866 0.85 GABRA1 (0.35) GABRA1GABRA5HTR2AHTR2BMRGPRX1
SCHEMBL21590557 0.85 GABRA1 (0.35) GABRA1HTR2AHTR2BMRGPRX1HTR2C

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 11 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
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
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 4/4885GABRA5 1/4885DCTPP1 4630/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 GABRA1 4/4885GABRA5 1/4885DCTPP1 4795/4885

“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.