SCHEMBL21590841

SCHEMBL21590841

O=C(O)N1CC2(C1)CN(C1CC1)C2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.35
GRM5 P41594 1/20 0.34
L3MBTL3 Q96JM7 5/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
MBTD1 Q05BQ5 1/20 0.32
TP53BP1 Q12888 1/20 0.32
L3MBTL4 Q8NA19 1/20 0.32
KCNH2 Q12809 1/20 0.31

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
SCHEMBL17292640 0.85 ALDH1A1 (0.49) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
Acetic Acid SCHEMBL17261069 0.82 ALDH1A1 (0.46) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL4060976 0.82 HRH3 (0.42) HRH3L3MBTL3L3MBTL1
SCHEMBL4072607 0.82 HRH3 (0.47) HRH3L3MBTL3L3MBTL1KCNH2
SCHEMBL21592442 0.81 SMN1; SMN2 (0.45) HRH3GRM5
SCHEMBL4063194 0.76 HRH3 (0.44) HRH3GRM5L3MBTL3L3MBTL1KCNH2
SCHEMBL4130400 0.74 HRH3 (0.54) HRH3GRM5KCNH2
SCHEMBL23150861 0.72 CHRM2 (0.46) HRH3
SCHEMBL17005066 0.72 GRM5 (0.42) GRM5
SCHEMBL14920884 0.72 GRM5 (0.38) GRM5

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-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
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 HRH3 1183/4885GRM5 14/4885L3MBTL3 4231/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 HRH3 939/4885GRM5 21/4885L3MBTL3 3327/4885

“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.