SCHEMBL3929602

SCHEMBL3929602

CC(C)Oc1ccc(CO)cn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.46
ALDH1A1 P00352 1/20 0.45
ACACA Q13085 9/20 0.45
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
MLNR O43193 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL31475048 1.00 ACACB (0.46) ACACBALDH1A1ACACAPIK3CDPIK3CA
SCHEMBL20195258 0.86 ACACB (0.47) ACACBALDH1A1ACACAPIK3CDPIK3CA
SCHEMBL6468241 0.83 ALDH1A1 (0.46) ACACBALDH1A1ACACAPIK3CDPIK3CA
SCHEMBL3939368 0.81 ALDH1A1 (0.45) ACACBALDH1A1ACACAPIK3CDPIK3CA
SCHEMBL21994583 0.81 ALDH1A1 (0.45) ACACBALDH1A1ACACAPIK3CDPIK3CA
SCHEMBL30583901 0.81 DAO (0.49) ACACBSCN9A
SCHEMBL4541422 0.81 DAO (0.49) ACACBSCN9A
SCHEMBL21503513 0.81 ACACB (0.46) ACACBALDH1A1ACACAPIK3CDPIK3CA
SCHEMBL31143209 0.81 ALDH1A1 (0.45) ACACBALDH1A1ACACAPIK3CDPIK3CA
SCHEMBL29796918 0.81 ALDH1A1 (0.45) ACACBALDH1A1ACACAPIK3CDPIK3CA

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 9 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
WO-2009010784-A1 NEW COMPOUNDS 955 ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
WO-2009010784-A1 NEW COMPOUNDS 955 ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
CN-1960970-A Pyrrolidine derivatives as CB1-receptor antagonists TANABE SEIYAKU CO (JP) 2007-05-09 CN disclosed
EP-1748980-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2007-02-07 EP disclosed
WO-2005115977-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2005-12-08 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 ACACB 3004/4885ALDH1A1 1572/4885ACACA 2645/4885

“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.