SCHEMBL20122178

SCHEMBL20122178

CNC(=O)C12CC1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(F)c(F)c4)nc31)[C@H](O)[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 18/20 1.00
▸ KCNH2 Q12809 2/20 1.00
▸ ABCG2 Q9UNQ0 2/20 1.00
▸ ADORA2A P29274 2/20 0.89
▸ ADORA1 P30542 5/20 0.84
▸ SLC6A2 P23975 1/20 0.76
▸ SLC6A3 Q01959 1/20 0.76

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
SCHEMBL16361558 1.00 ADORA3 (1.00) ADORA3KCNH2ABCG2ADORA2AADORA1
SCHEMBL21779332 1.00 ADORA3 (1.00) ADORA3KCNH2ABCG2ADORA2AADORA1
SCHEMBL10322552 1.00 ADORA3 (1.00) ADORA3KCNH2ABCG2ADORA2AADORA1
SCHEMBL16774365 1.00 ADORA3 (1.00) ADORA3KCNH2ABCG2ADORA2AADORA1
SCHEMBL19464922 1.00 ADORA3 (1.00) ADORA3KCNH2ABCG2ADORA2AADORA1
SCHEMBL31061297 1.00 ADORA3 (1.00) ADORA3KCNH2ABCG2ADORA2AADORA1
SCHEMBL29524299 1.00 ADORA3 (1.00) ADORA3KCNH2ABCG2ADORA2AADORA1
SCHEMBL19459897 0.95 ADORA3 (0.91) ADORA3KCNH2ABCG2ADORA2AADORA1
SCHEMBL19799157 0.95 ADORA3 (0.91) ADORA3KCNH2ABCG2ADORA2AADORA1
SCHEMBL19464859 0.94 ADORA3 (0.89) ADORA3KCNH2ABCG2ADORA2AADORA1

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 3 patents. 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
EP-3074398-B1 A3 ADENOSINE RECEPTOR AGONISTS US HEALTH (US) 2021-03-17 — — EP disclosed
US-9963450-B2 A3 adenosine receptor agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-05-08 — — 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 1/4885KCNH2 3479/4885ABCG2 516/4885

“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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