SCHEMBL25174673

SCHEMBL25174673

CC(C)(C)OC(=O)NC(CO)C(=O)NC1CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HRH2 P25021 2/20 0.51
HRH1 P35367 2/20 0.51
CTSS P25774 6/20 0.48
CTSK P43235 6/20 0.48
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX1 P07099 1/20 0.43
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
KMT2A Q03164 1/20 0.41
SCN9A Q15858 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL29244834 1.00 HDAC4 (0.58) HDAC4HDAC1HDAC6HRH2HRH1
SCHEMBL9718207 0.93 HDAC4 (0.68) HDAC4HDAC1HDAC6HRH2HRH1
SCHEMBL18460227 0.93 HDAC4 (0.68) HDAC4HDAC1HDAC6HRH2HRH1
SCHEMBL25761193 0.83 HDAC4 (0.67) HDAC4HDAC1HDAC6HRH2HRH1
SCHEMBL13048263 0.81 HDAC4 (0.65) HDAC4HDAC1HDAC6HRH2HRH1
SCHEMBL18460068 0.80 HDAC4 (0.74) HDAC4HDAC1HDAC6HRH2HRH1
SCHEMBL21285681 0.80 HDAC4 (0.43) HDAC4HDAC1HDAC6HRH2HRH1
SCHEMBL4704612 0.80 KMT2A (0.53) HDAC4HDAC1HDAC6HRH2HRH1
SCHEMBL12668952 0.79 CTSK (0.49) CTSSCTSKGAAL3MBTL1CTSL
SCHEMBL14984662 0.79 CTSK (0.49) CTSSCTSKGAAL3MBTL1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12344614-B2 Benzodiazepine derivatives as GABA a GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2025-07-01 US disclosed
CN-118055923-A Benzodiazepine derivatives as positive allosteric modulators of the GABAA γ1 receptor 豪夫迈·罗氏有限公司 2024-05-17 CN disclosed
US-20230142171-A1 NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-11 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 (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-12344614-B2 Benzodiazepine derivatives as GABA a GAMMA1 PAM GABRA1, GABRB1, GABRA5 HDAC4 1798/4885HDAC1 1695/4885HDAC6 1196/4885
US-20230142171-A1 NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM GABRA1, GABRB1, GABRA5 HDAC4 1740/4885HDAC1 1704/4885HDAC6 1202/4885

“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.