SCHEMBL31143206

SCHEMBL31143206

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(-c3nnc(C4CCCN4C(=O)O)o3)cc2N(Cc2ccc(OC3CCCC3)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.37
▸ HCRTR1 O43613 6/20 0.37
▸ HCRTR2 O43614 6/20 0.37
▸ KCNH2 Q12809 7/20 0.35
▸ MCHR1 Q99705 7/20 0.35
▸ XIAP P98170 1/20 0.34
▸ NPY1R P25929 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ TSHR P16473 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
SCHEMBL26962000 0.85 PDE4B (0.40) SRCKCNH2MCHR1XIAPNPY1R
SCHEMBL26961610 0.80 NPC1 (0.43) SRCXIAPNPY1RNPSR1TSHR
SCHEMBL29797033 0.78 SRC (0.42) SRCXIAPNPY1RNPSR1TSHR
SCHEMBL26962291 0.77 SRC (0.37) SRCXIAPNPY1RMAPT
SCHEMBL26962177 0.77 SRC (0.38) SRCXIAPNPY1RMAPT
SCHEMBL29796984 0.77 SRC (0.38) SRCXIAPNPY1RMAPT
SCHEMBL29796737 0.77 SRC (0.39) SRCKCNH2MCHR1NPY1R
SCHEMBL26961887 0.77 SRC (0.39) SRCKCNH2MCHR1NPY1R
SCHEMBL29796900 0.75 XIAP (0.33) SRCXIAPNPY1RMAPT
SCHEMBL26962007 0.75 XIAP (0.33) SRCXIAPNPY1RMAPT

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 1 patent. 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

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 2202/4885HCRTR1 83/4885HCRTR2 131/4885

“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