SCHEMBL21758644

SCHEMBL21758644

CC1(C)O[C@@H]2[C@H](n3cnc4c(NC5CC5c5cccc(Cl)c5)nc(I)nc43)[C@H]3C[C@@]3(C(=O)O)[C@@H]2O1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 18/20 0.55
▸ ADORA1 P30542 4/20 0.52
▸ ADORA2A P29274 2/20 0.52
▸ HRH2 P25021 1/20 0.45
▸ HTR5A P47898 1/20 0.45
▸ ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL21758645 0.92 ADORA3 (0.57) ADORA3ADORA1ADORA2AHRH2HTR5A
SCHEMBL18352461 0.87 ADORA3 (0.56) ADORA3ADORA1ADORA2AHRH2HTR5A
SCHEMBL21758637 0.86 ADORA3 (0.65) ADORA3ADORA1ADORA2A
SCHEMBL20122150 0.86 ADORA3 (0.65) ADORA3ADORA1ADORA2A
SCHEMBL21758642 0.85 ADORA3 (0.60) ADORA3ADORA1ADORA2AABCG2
SCHEMBL21758640 0.85 ADORA3 (0.61) ADORA3ADORA1ADORA2AABCG2
SCHEMBL20122149 0.83 HRH2 (0.59) ADORA3ADORA1ADORA2AHRH2HTR5A
SCHEMBL31668923 0.77 ADORA3 (0.64) ADORA3ADORA1ADORA2AHRH2HTR5A
SCHEMBL29574284 0.76 HRH2 (0.53) ADORA3ADORA1ADORA2AHRH2HTR5A
SCHEMBL18353149 0.75 ADORA3 (0.60) ADORA3ADORA1HRH2HTR5A

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-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

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 1/4885ADORA1 3/4885ADORA2A 4/4885

“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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