SCHEMBL25923799

SCHEMBL25923799

CCCC(CC)c1ccc(CN2CCC(CNC(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HRH3 Q9Y5N1 7/20 0.38

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
SCHEMBL26405146 0.88 L3MBTL1 (0.48) CXCR4ACHEBACE1HRH3
SCHEMBL23696174 0.83 BCHE (0.49) CXCR4ACHEBACE1
SCHEMBL24607258 0.82 MAOA (0.46) CXCR4ACHEBACE1HRH3
SCHEMBL25654352 0.81 BCHE (0.45) CXCR4ACHE
SCHEMBL26409040 0.79 KCNH2 (0.54) CXCR4ACHEBACE1
SCHEMBL13428851 0.78 CXCR4 (0.64) CXCR4ACHEBACE1
SCHEMBL25927715 0.78 BCHE (0.47) CXCR4ACHE
SCHEMBL23946018 0.77 L3MBTL1 (0.49) CXCR4ACHEBACE1
SCHEMBL23806785 0.74 L3MBTL1 (0.51) CXCR4ACHEBACE1HRH3
SCHEMBL8227566 0.73 CXCR4 (0.54) CXCR4ACHEBACE1

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-20230234953-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 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-20230234953-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CXCR4 2507/4885ACHE 2778/4885BACE1 759/4885

“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.