SCHEMBL21590680

SCHEMBL21590680

CC1CCOC2(C1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.40
EPHX2 P34913 1/20 0.37
EPHX1 P07099 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
NR1H2 P55055 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
GPR119 Q8TDV5 3/20 0.34
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 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
SCHEMBL19852387 0.85 USP2 (0.41) RECQLUSP2SMN1; SMN2HPGDEPHX2
SCHEMBL21590961 0.84 USP2 (0.42) RECQLUSP2SMN1; SMN2HPGDEPHX2
SCHEMBL21590821 0.83 USP2 (0.41) RECQLUSP2SMN1; SMN2HPGDEPHX2
SCHEMBL24716572 0.83 USP2 (0.50) RECQLUSP2SMN1; SMN2HPGDEPHX2
SCHEMBL12654039 0.80 USP2 (0.51) RECQLUSP2SMN1; SMN2HPGDEPHX2
SCHEMBL24379120 0.78 USP2 (0.48) RECQLUSP2SMN1; SMN2HPGDEPHX2
SCHEMBL21590971 0.77 USP2 (0.40) RECQLUSP2SMN1; SMN2HPGDEPHX2
SCHEMBL27034316 0.77 CHRM1 (0.43) RECQLUSP2SMN1; SMN2HPGDEPHX2
SCHEMBL30845955 0.77 CHRM1 (0.43) RECQLUSP2SMN1; SMN2HPGDEPHX2
SCHEMBL21590800 0.77 USP2 (0.41) RECQLUSP2SMN1; SMN2HPGDEPHX2

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 5 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
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
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 RECQL 4176/4885USP2 3807/4885SMN1; SMN2 3404/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 RECQL 4343/4885USP2 3012/4885SMN1; SMN2 2455/4885

“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.