SCHEMBL26962039

SCHEMBL26962039

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(-c3nnc(C4(C)CCN(C(=O)OCc5ccccc5)CC4)o3)cc2N(Cc2ccc(Cl)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.36
▸ SRC P12931 4/20 0.36
▸ TRPC3 Q13507 1/20 0.36
▸ TRPC7 Q9HCX4 1/20 0.36
▸ NPY1R P25929 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ GPR119 Q8TDV5 2/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ CCR1 P32246 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
SCHEMBL26962286 0.88 TRPC3 (0.36) TRPC3TRPC7NPY1RALDH1A1GPR119
SCHEMBL26962120 0.85 JAK2 (0.34) XIAPSRCGPR119CNR1CNR2
SCHEMBL26961737 0.84 XIAP (0.36) XIAPSRCTRPC3TRPC7NPY1R
SCHEMBL29270821 0.83 XIAP (0.38) XIAPSRCTRPC3TRPC7NPY1R
SCHEMBL26961694 0.82 MAPT (0.41) XIAPSRCNPY1RALDH1A1
SCHEMBL26962129 0.82 TRPC3 (0.34) XIAPSRCTRPC3TRPC7NPY1R
SCHEMBL26961874 0.80 SRC (0.34) XIAPSRCNPY1RCCR1
SCHEMBL26962000 0.80 PDE4B (0.40) XIAPSRCNPY1RGPR119PDE4B
SCHEMBL26961929 0.79 PDK2 (0.34) GPR119CCR1
SCHEMBL26961823 0.78 XIAP (0.32) XIAPSRCNPY1R

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-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 XIAP 3779/4885SRC 2202/4885TRPC3 799/4885

“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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