SCHEMBL26962177

SCHEMBL26962177

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(-c3nnc(C(C)(C)C)o3)cc2N(Cc2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.38
▸ XIAP P98170 1/20 0.36
▸ GCGR P47871 6/20 0.35
▸ GIPR P48546 5/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ GRM2 Q14416 1/20 0.34
▸ NPY1R P25929 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ KCNN4 O15554 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ TEAD1 P28347 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
SCHEMBL29796984 1.00 SRC (0.38) SRCXIAPGCGRGIPRHDAC6
SCHEMBL29797058 0.94 SRC (0.39) SRCXIAPHDAC6NPY1R
SCHEMBL26961779 0.94 SRC (0.39) SRCXIAPHDAC6NPY1R
SCHEMBL26962547 0.93 SRC (0.36) SRCXIAPGCGRGIPRHDAC6
SCHEMBL26962291 0.90 SRC (0.37) SRCXIAPGCGRGIPRHDAC6
SCHEMBL26961825 0.89 SRC (0.36) SRCXIAPGCGRGIPRGRM2
SCHEMBL29796857 0.89 SRC (0.36) SRCXIAPGCGRGIPRGRM2
SCHEMBL31143125 0.88 SRC (0.36) SRCXIAPGCGRGIPRGRM2
SCHEMBL26961664 0.85 GCGR (0.35) GCGRGIPRHDAC6GRM2NPY1R
SCHEMBL26961957 0.85 XIAP (0.35) SRCXIAPHDAC6NPY1RCACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SRC 2202/4885XIAP 3779/4885GCGR 789/4885

“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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