SCHEMBL24615173

SCHEMBL24615173

CNC(=O)C1(C)C(O)[C@@H](O)[C@H](n2cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(F)c(F)c4)nc32)[C@H]1C

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 18/20 0.79
▸ ABCG2 Q9UNQ0 2/20 0.79
▸ KCNH2 Q12809 1/20 0.79
▸ ADORA2A P29274 4/20 0.70
▸ ADORA1 P30542 5/20 0.66

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
SCHEMBL21779332 0.88 ADORA3 (1.00) ADORA3ABCG2KCNH2ADORA2AADORA1
SCHEMBL20122178 0.88 ADORA3 (1.00) ADORA3ABCG2KCNH2ADORA2AADORA1
SCHEMBL31061297 0.88 ADORA3 (1.00) ADORA3ABCG2KCNH2ADORA2AADORA1
SCHEMBL19464922 0.88 ADORA3 (1.00) ADORA3ABCG2KCNH2ADORA2AADORA1
SCHEMBL29524299 0.88 ADORA3 (1.00) ADORA3ABCG2KCNH2ADORA2AADORA1
SCHEMBL10322552 0.88 ADORA3 (1.00) ADORA3ABCG2KCNH2ADORA2AADORA1
SCHEMBL16774365 0.88 ADORA3 (1.00) ADORA3ABCG2KCNH2ADORA2AADORA1
SCHEMBL16361558 0.88 ADORA3 (1.00) ADORA3ABCG2KCNH2ADORA2AADORA1
SCHEMBL21779333 0.87 ADORA3 (0.80) ADORA3ABCG2KCNH2ADORA2AADORA1
SCHEMBL20122056 0.87 ADORA3 (0.80) ADORA3ABCG2KCNH2ADORA2AADORA1

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-20220218712-A1 TREATMENT OF ALZHEIMER'S DISEASE SAINT LOUIS UNIVERSITY 2022-07-14 — — 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-20220218712-A1 TREATMENT OF ALZHEIMER'S DISEASE ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ABCG2 516/4885KCNH2 3479/4885

“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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