SCHEMBL20122138

SCHEMBL20122138

CNC(=O)C12CC1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 19/20 0.81
▸ ADORA2A P29274 2/20 0.81
▸ ADORA1 P30542 5/20 0.79
▸ SLC6A2 P23975 2/20 0.77
▸ SLC6A3 Q01959 2/20 0.77
▸ ADRB3 P13945 1/20 0.77
▸ KCNH2 Q12809 2/20 0.77
▸ ABCG2 Q9UNQ0 1/20 0.77

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
SCHEMBL10321736 0.90 ADORA3 (1.00) ADORA3ADORA2AADORA1KCNH2ABCG2
SCHEMBL15214516 0.90 ADORA3 (0.87) ADORA3ADORA2AADORA1KCNH2ABCG2
SCHEMBL10322107 0.89 ADORA3 (1.00) ADORA3ADORA2AADORA1KCNH2ABCG2
SCHEMBL16361557 0.89 ADORA3 (1.00) ADORA3ADORA2AADORA1KCNH2ABCG2
SCHEMBL20122068 0.89 ADORA3 (0.80) ADORA3ADORA2AADORA1SLC6A2SLC6A3
SCHEMBL16774155 0.89 ADORA3 (0.80) ADORA3ADORA2AADORA1SLC6A2SLC6A3
SCHEMBL21779340 0.88 ADORA3 (1.00) ADORA3ADORA2AADORA1SLC6A2SLC6A3
SCHEMBL16774402 0.88 ADORA3 (1.00) ADORA3ADORA2AADORA1SLC6A2SLC6A3
SCHEMBL16774146 0.88 ADORA3 (1.00) ADORA3ADORA2AADORA1SLC6A2SLC6A3
SCHEMBL23097505 0.88 ADORA3 (1.00) ADORA3SLC6A2SLC6A3ADRB3KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577368-B2 A3 adenosine receptor agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-03-03 — — US 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-10577368-B2 A3 adenosine receptor agonists ADORA3, ADORA2B, ADORA1 ADORA3 1/4885ADORA2A 4/4885ADORA1 3/4885

“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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