SCHEMBL21590463

SCHEMBL21590463

Cc1cnncc1N1CCN(c2cnn(Cc3c(-c4ccc(Cl)nc4)noc3C)c(=O)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 12/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2B P41595 2/20 0.32
MRGPRX1 Q96LB2 2/20 0.32
HTR2C P28335 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
GABRA5 P31644 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL21590866 0.93 GABRA1 (0.35) GABRA1L3MBTL1HTR2AHTR2BMRGPRX1
SCHEMBL30694886 0.89 GABRA1 (0.35) GABRA1L3MBTL1HTR2AHTR2BMRGPRX1
SCHEMBL21590861 0.89 GABRA1 (0.35) GABRA1L3MBTL1HTR2AHTR2BMRGPRX1
SCHEMBL21590557 0.88 GABRA1 (0.35) GABRA1L3MBTL1HTR2AHTR2BMRGPRX1
SCHEMBL21590566 0.88 GABRA1 (0.35) GABRA1L3MBTL1HTR2AHTR2BMRGPRX1
SCHEMBL21590468 0.88 GABRA1 (0.34) GABRA1L3MBTL1HTR2AHTR2BMRGPRX1
SCHEMBL21590443 0.88 GABRA1 (0.34) GABRA1L3MBTL1HTR2AHTR2BMRGPRX1
SCHEMBL21591006 0.87 GABRA1 (0.36) GABRA1L3MBTL1HTR2AHTR2BMRGPRX1
SCHEMBL21590585 0.87 GABRA1 (0.34) GABRA1L3MBTL1HTR2AHTR2BMRGPRX1
SCHEMBL21590865 0.85 GABRA1 (0.35) GABRA1L3MBTL1HTR2AHTR2BMRGPRX1

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 6 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
EP-3807269-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2021-04-21 EP claimed
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US claimed
WO-2019238633-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO claimed
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 US disclosed
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US 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 3857/4885HTR2A 479/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 GABRA1 4/4885L3MBTL1 2470/4885HTR2A 513/4885

“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.