SCHEMBL26962129

SCHEMBL26962129

CC(C)(C)OC(=O)N[C@H]1CSc2cc(F)c(-c3noc(C4(C)CCN(C(=O)OCc5ccccc5)CC4)n3)cc2N(Cc2ccc(Cl)cc2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPC3 Q13507 1/20 0.34
▸ TRPC7 Q9HCX4 1/20 0.34
▸ BDKRB1 P46663 4/20 0.33
▸ SRC P12931 1/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ NPY1R P25929 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ XIAP P98170 2/20 0.32
▸ SMO Q99835 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ BIRC2 Q13490 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL26961895 0.88 THRB (0.35) TRPC3TRPC7BDKRB1S1PR1NPY1R
SCHEMBL26962394 0.87 BDKRB1 (0.36) BDKRB1S1PR1POLBMAPT
SCHEMBL29270808 0.87 BDKRB1 (0.35) BDKRB1S1PR1POLBMAPT
SCHEMBL26962145 0.85 S1PR1 (0.33) BDKRB1SRCS1PR1RIPK1NPY1R
SCHEMBL29270849 0.83 USP30 (0.34) BDKRB1S1PR1XIAP
SCHEMBL26962039 0.82 XIAP (0.36) TRPC3TRPC7SRCRIPK1NPY1R
SCHEMBL29796828 0.81 HDAC6 (0.38) BDKRB1RIPK1POLBMAPT
SCHEMBL26961865 0.81 HDAC6 (0.38) BDKRB1RIPK1POLBMAPT
SCHEMBL29796832 0.81 BDKRB1 (0.35) BDKRB1S1PR1POLBMAPT
SCHEMBL26962155 0.81 BDKRB1 (0.35) BDKRB1S1PR1POLBMAPT

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 TRPC3 799/4885TRPC7 1025/4885BDKRB1 11/4885

“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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