SCHEMBL25764922

SCHEMBL25764922

CC(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(C)cc3)cn2)CC1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 17/20 0.72
▸ KCNH2 Q12809 3/20 0.60

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
SCHEMBL25764934 0.96 AOC3 (0.73) AOC3KCNH2
SCHEMBL16049471 0.93 AOC3 (0.78) AOC3KCNH2
SCHEMBL25765426 0.91 AOC3 (0.79) AOC3KCNH2
SCHEMBL25764977 0.90 AOC3 (0.69) AOC3KCNH2
SCHEMBL16048611 0.89 AOC3 (0.84) AOC3KCNH2
SCHEMBL25765018 0.88 AOC3 (0.85) AOC3KCNH2
SCHEMBL22819192 0.87 AOC3 (0.82) AOC3KCNH2
SCHEMBL25765404 0.85 AOC3 (0.74) AOC3KCNH2
Trifluoroacetic Acid SCHEMBL21931202 0.85 AOC3 (0.77) AOC3KCNH2
SCHEMBL25765508 0.84 AOC3 (0.73) AOC3KCNH2

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-20230190728-A1 NEW THERAPEUTIC USES OF COMPOUNDS PROXIMAGEN LLC (US) 2023-06-22 — — 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-20230190728-A1 NEW THERAPEUTIC USES OF COMPOUNDS ACE2, TMPRSS2, IL1B AOC3 2604/4885KCNH2 800/4885

“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.

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