SCHEMBL26961815

SCHEMBL26961815

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(-c3nnc(C45CC(CN(C(=O)OC(C)(C)C)C4)C5)o3)cc2N(Cc2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 2/20 0.33
▸ DAGLA Q9Y4D2 1/20 0.33
▸ SRC P12931 3/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ XIAP P98170 1/20 0.32
▸ LIPE Q05469 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ PDK2 Q15119 2/20 0.31
▸ GCGR P47871 1/20 0.30
▸ GIPR P48546 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPY1R P25929 1/20 0.30
▸ CACNA1H O95180 1/20 0.30
▸ GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL29797032 1.00 ABHD6 (0.33) ABHD6DAGLASRCKCNH2SCN5A
SCHEMBL26961653 0.95 SRC (0.34) SRCXIAPMEN1KMT2ANPY1R
SCHEMBL29796785 0.95 SRC (0.34) SRCXIAPMEN1KMT2ANPY1R
SCHEMBL26962505 0.88 ABHD6 (0.33) ABHD6DAGLAKCNH2SCN5ASCN9A
SCHEMBL31143125 0.85 SRC (0.36) SRCXIAPGRM2PDK2GCGR
SCHEMBL26962177 0.84 SRC (0.38) SRCXIAPGRM2GCGRGIPR
SCHEMBL29796984 0.84 SRC (0.38) SRCXIAPGRM2GCGRGIPR
SCHEMBL29796869 0.83 POLB (0.30) —
SCHEMBL26961683 0.83 POLB (0.30) —
SCHEMBL26961809 0.83 NPY1R (0.32) MEN1KMT2ANPY1R

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 ABHD6 3029/4885DAGLA 3586/4885SRC 2202/4885

“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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