SCHEMBL16774359

SCHEMBL16774359

CNC(=O)[C@]12CC1[C@@H](n1cnc3c(N[C@@H]4CC4c4ccccc4)nc(C#Cc4ccccc4)nc31)C(O)[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 17/20 1.00
▸ ADORA2A P29274 1/20 0.77
▸ ADORA1 P30542 1/20 0.77
▸ ABCG2 Q9UNQ0 3/20 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
SCHEMBL20122131 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ABCG2
SCHEMBL30255410 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ABCG2
SCHEMBL20122130 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ABCG2
SCHEMBL16774143 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ABCG2
SCHEMBL16774150 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ABCG2
SCHEMBL30255164 0.94 ADORA3 (1.00) ADORA3ABCG2
SCHEMBL30255319 0.94 ADORA3 (1.00) ADORA3ABCG2
SCHEMBL16774259 0.94 ADORA3 (0.92) ADORA3ADORA2AADORA1ABCG2
SCHEMBL16774320 0.94 ADORA3 (0.92) ADORA3ABCG2
SCHEMBL16774360 0.94 ADORA3 (0.92) ADORA3ABCG2

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-20170002007-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2017-01-05 — — US disclosed
WO-2015080940-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-06-04 — — WO 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-20170002007-A1 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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