SCHEMBL26961667

SCHEMBL26961667

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(C#N)cc2NC1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ KDM4D Q6B0I6 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EPAS1 Q99814 1/20 0.35
▸ ABCB1 P08183 4/20 0.34
▸ EGLN2 Q96KS0 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ RIPK1 Q13546 1/20 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
SCHEMBL29796852 1.00 GAA (0.40) GAADRD2SIRT2SIRT1EPHX2
SCHEMBL25584629 0.84 GAA (0.42) GAAEPHX2ALDH1A1SMN1; SMN2NFKB1
SCHEMBL5969627 0.84 GAA (0.42) GAAEPHX2ALDH1A1SMN1; SMN2NFKB1
SCHEMBL5735937 0.84 GAA (0.42) GAAEPHX2ALDH1A1SMN1; SMN2NFKB1
SCHEMBL20264133 0.83 SMN1; SMN2 (0.48) GAAEPHX2KDM4EALDH1A1MAPT
SCHEMBL26961638 0.83 GAA (0.39) GAAEPHX2KDM4DEPAS1EGLN2
SCHEMBL29796711 0.83 GAA (0.39) GAAEPHX2KDM4DEPAS1EGLN2
SCHEMBL20279961 0.82 LMNA (0.54) GAAEPHX2ALDH1A1MAPTSMN1; SMN2
SCHEMBL31375565 0.82 LMNA (0.54) GAAEPHX2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3484895 0.82 EPHX2 (0.49) GAAEPHX2KDM4EALDH1A1NFKB1

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
CN-119698413-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-25 — — CN disclosed
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 — — US disclosed
EP-4291558-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2023-12-20 — — EP disclosed
CN-116964048-A Bicyclic tetrahydroazepine derivatives for the treatment of cancer 豪夫迈·罗氏有限公司 2023-10-27 — — CN disclosed
WO-2022171745-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2022-08-18 — — 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 (1 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-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 GAA 4525/4885DRD2 130/4885SIRT2 1059/4885

“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.

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