SCHEMBL21590729

SCHEMBL21590729

CC1(C(=O)N2CCN(c3cnn(Cc4c(-c5ccc(Cl)cn5)noc4C4CC4)c(=O)c3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 5/20 0.37
NR1H4 Q96RI1 14/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C8 P10632 2/20 0.37
TACR3 P29371 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
SCHEMBL21590628 0.92 GABRA5 (0.42) GABRA5TACR3
SCHEMBL21590796 0.89 GABRA5 (0.38) GABRA5NR1H4CYP3A4CYP2C8
SCHEMBL21590582 0.82 RET (0.36) GABRA5NR1H4
SCHEMBL21590577 0.82 RET (0.36) GABRA5NR1H4
SCHEMBL21590690 0.80 RET (0.39) GABRA5NR1H4
SCHEMBL21593177 0.80 L3MBTL1 (0.35) NR1H4TACR3
SCHEMBL21593255 0.79 GABRA5 (0.41) GABRA5
SCHEMBL21590652 0.76 GABRA1 (0.42)
SCHEMBL21590943 0.75 MAPT (0.40) GABRA5
SCHEMBL21590881 0.74 GABRA5 (0.40) GABRA5

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 10 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

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 GABRA5 1/4885NR1H4 775/4885CYP3A4 330/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 GABRA5 1/4885NR1H4 1506/4885CYP3A4 649/4885

“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.