SCHEMBL21591003

SCHEMBL21591003

CC(C)(C)OC(=O)N1CC2(CCC(F)CO2)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RECQL P46063 1/20 0.38
HPGD P15428 1/20 0.37
EPHX1 P07099 1/20 0.35
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
NR1H2 P55055 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
EPHX2 P34913 1/20 0.34
GPR119 Q8TDV5 2/20 0.34

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
SCHEMBL31636996 0.86 USP2 (0.39) USP2SMN1; SMN2RECQLHPGDEPHX1
SCHEMBL30694887 0.86 USP2 (0.41) USP2SMN1; SMN2RECQLHPGDEPHX1
SCHEMBL30694891 0.86 USP2 (0.41) USP2SMN1; SMN2RECQLHPGDEPHX1
SCHEMBL21590971 0.84 USP2 (0.40) USP2SMN1; SMN2RECQLHPGDEPHX1
SCHEMBL21590981 0.84 USP2 (0.37) USP2SMN1; SMN2RECQLHPGDEPHX1
SCHEMBL12654039 0.79 USP2 (0.51) USP2SMN1; SMN2RECQLHPGDEPHX1
SCHEMBL2960736 0.78 USP2 (0.47) USP2SMN1; SMN2RECQLHPGDEPHX1
SCHEMBL23933137 0.78 USP2 (0.39) USP2SMN1; SMN2RECQLHPGDEPHX1
SCHEMBL21590961 0.78 USP2 (0.42) USP2SMN1; SMN2RECQLHPGDEPHX1
SCHEMBL21590788 0.77

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4149933-B1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN LA ROCHE (CH) 2024-06-12 EP disclosed
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 US disclosed
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
EP-4149933-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2023-03-22 EP disclosed
CN-115461337-A Novel triazolyl derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2022-12-09 CN disclosed
WO-2021228795-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2021-11-18 WO 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
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 (3 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 USP2 3807/4885SMN1; SMN2 3404/4885RECQL 4176/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 USP2 3012/4885SMN1; SMN2 2455/4885RECQL 4343/4885
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRA3, GABRB3 USP2 3724/4885SMN1; SMN2 2373/4885RECQL 3464/4885

“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.