SCHEMBL26962000

SCHEMBL26962000

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(-c3nnc(C4CCN(C(=O)OCc5ccccc5)C4)o3)cc2N(Cc2ccc(OC3CCCC3)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.40
▸ SRC P12931 3/20 0.40
▸ MCHR1 Q99705 8/20 0.36
▸ KCNH2 Q12809 6/20 0.36
▸ XIAP P98170 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPY1R P25929 1/20 0.34
▸ PRMT5 O14744 1/20 0.33
▸ PPARG P37231 1/20 0.33

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
SCHEMBL26961745 0.89 PDE4B (0.40) PDE4BMCHR1KCNH2GPR119GAA
SCHEMBL31143206 0.85 SRC (0.37) SRCMCHR1KCNH2XIAPGAA
SCHEMBL26962172 0.84 SRC (0.36) PDE4BSRCXIAPGAANPY1R
SCHEMBL26961737 0.83 XIAP (0.36) PDE4BSRCXIAPSMN1; SMN2NPY1R
SCHEMBL26962312 0.83 PDE4B (0.39) PDE4BSRCMCHR1KCNH2GPR119
SCHEMBL26961919 0.82 SRC (0.43) PDE4BSRCXIAPGAASMN1; SMN2
SCHEMBL26961685 0.81 MCHR1 (0.38) PDE4BMCHR1KCNH2SMN1; SMN2
SCHEMBL26962039 0.80 XIAP (0.36) PDE4BSRCXIAPGPR119NPY1R
SCHEMBL31375601 0.80 XIAP (0.34) PDE4BSRCXIAPNPY1R
SCHEMBL29270821 0.77 XIAP (0.38) SRCXIAPSMN1; SMN2NPY1R

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 3 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
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 PDE4B 2683/4885SRC 2202/4885MCHR1 879/4885

“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