SCHEMBL21593336

SCHEMBL21593336

COC1CCN(c2cnn(Cc3c(-c4ccc(Cl)nc4)noc3C)c(=O)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 19/20 0.39
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.35

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
SCHEMBL21590616 0.92 GABRA1 (0.46) GABRA1
SCHEMBL30694840 0.92 GABRA1 (0.46) GABRA1
SCHEMBL21591001 0.92 GABRA1 (0.41) GABRA1
SCHEMBL30694858 0.92 GABRA1 (0.41) GABRA1
SCHEMBL21590668 0.88 GABRA1 (0.41) GABRA1
SCHEMBL30694847 0.87 GABRA1 (0.40) GABRA1
SCHEMBL21590986 0.87 GABRA1 (0.40) GABRA1
SCHEMBL21590824 0.86 GABRA1 (0.39) GABRA1HTR2AHTR2BMRGPRX1
SCHEMBL21590424 0.86 GABRA1 (0.39) GABRA1
SCHEMBL21591006 0.85 GABRA1 (0.36) GABRA1HTR2AHTR2BMRGPRX1

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 3 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
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 GABRA1 4/4885HTR2A 479/4885HTR2B 332/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 GABRA1 4/4885HTR2A 513/4885HTR2B 580/4885

“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.