SCHEMBL26961876

SCHEMBL26961876

CC(C)(C)OC(=O)N[C@H]1CSc2cc(F)c(-c3noc(C45CC(CN(C(=O)OC(C)(C)C)C4)C5)n3)cc2N(Cc2ccc(OC(F)(F)C(F)F)cc2)C1=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.31
▸ BDKRB1 P46663 1/20 0.31
▸ NPY1R P25929 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
SCHEMBL29796709 1.00 SRC (0.31) SRCBDKRB1NPY1R
SCHEMBL26961726 0.96 KCNH2 (0.33) BDKRB1
SCHEMBL29796890 0.96 KCNH2 (0.33) BDKRB1
SCHEMBL29796832 0.92 BDKRB1 (0.35) BDKRB1
SCHEMBL26962155 0.92 BDKRB1 (0.35) BDKRB1
SCHEMBL26961844 0.89 NPY1R (0.30) NPY1R
SCHEMBL26961893 0.89 NPY1R (0.31) NPY1R
SCHEMBL26961668 0.88 NPY1R (0.30) NPY1R
SCHEMBL26961689 0.84 KCNH2 (0.33) BDKRB1
SCHEMBL26961691 0.84 KCNH2 (0.33) BDKRB1

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 2202/4885BDKRB1 11/4885NPY1R 113/4885

“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.

Send feedback