SCHEMBL21403868

SCHEMBL21403868

CCO[C@@H]1CC[C@@H](NC(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.36
▸ EPHX2 P34913 7/20 0.36
▸ DPP4 P27487 2/20 0.36
▸ DPP8 Q6V1X1 2/20 0.36
▸ DPP9 Q86TI2 2/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TNKS O95271 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32

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
SCHEMBL21813603 0.89 DPP4 (0.35) GABRA1EPHX2DPP4DPP8DPP9
SCHEMBL14658961 0.89 SMYD3 (0.41) EPHX2SMYD3KDM4EMEN1KMT2A
SCHEMBL14658960 0.89 SMYD3 (0.41) EPHX2SMYD3KDM4EMEN1KMT2A
SCHEMBL28453342 0.87 EPHX2 (0.40) EPHX2SMYD3KDM4EMEN1KMT2A
SCHEMBL22729494 0.85 EPHX2 (0.49) EPHX2SMYD3GAA
SCHEMBL20488504 0.81 EPHX2 (0.45) GABRA1EPHX2DPP4BTK
SCHEMBL20488506 0.81 EPHX2 (0.45) GABRA1EPHX2DPP4BTK
SCHEMBL22729569 0.80 EPHX2 (0.36) EPHX2SMYD3TNKSPARP1PARP2
SCHEMBL22729568 0.80 EPHX2 (0.36) EPHX2SMYD3TNKSPARP1PARP2
SCHEMBL22729537 0.80 EPHX2 (0.36) EPHX2SMYD3TNKSPARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411415-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2022-12-29 — — US disclosed
EP-3551627-B1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN LA ROCHE (CH) 2022-02-16 — — EP disclosed
US-11091471-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2021-08-17 — — US disclosed
US-20190300516-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2019-10-03 — — 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 (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-20190300516-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB1, GABRA1 GABRA1 3/4885EPHX2 2080/4885DPP4 1817/4885
US-20220411415-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB1, GABRA1 GABRA1 3/4885EPHX2 2080/4885DPP4 1817/4885
US-11091471-B2 Isoxazolyl ether derivatives as GABAA α5 PAM GABRA5, GABRA1, GABRA3 GABRA1 2/4885EPHX2 1815/4885DPP4 3192/4885

“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.

Send feedback