SCHEMBL31668923

SCHEMBL31668923

CC1(C)O[C@H]2[C@H](n3cnc4c(N[C@H]5C[C@H]6CC[C@@H]5C6)nc(Cl)nc43)[C@H]3C[C@@]3(C(=O)O)[C@H]2O1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 18/20 0.64
▸ ADORA1 P30542 18/20 0.64
▸ ADORA2A P29274 15/20 0.64
▸ HTR2B P41595 6/20 0.64
▸ OPRK1 P41145 1/20 0.61
▸ SLC6A2 P23975 1/20 0.58
▸ HRH2 P25021 1/20 0.57
▸ HTR5A P47898 1/20 0.57
▸ TMIGD3 P0DMS9 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ TMEM97 Q5BJF2 2/20 0.47

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
SCHEMBL12269776 0.83 HRH2 (0.59) ADORA3ADORA1ADORA2AHTR2BHRH2
SCHEMBL29360010 0.79 ADORA3 (0.55) ADORA3ADORA1ADORA2AHTR2BOPRK1
SCHEMBL24220640 0.78 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BOPRK1
SCHEMBL21758645 0.78 ADORA3 (0.57) ADORA3ADORA1ADORA2AHRH2HTR5A
SCHEMBL29574284 0.77 HRH2 (0.53) ADORA3ADORA1ADORA2AHTR2BHRH2
SCHEMBL21758644 0.77 ADORA3 (0.55) ADORA3ADORA1ADORA2AHRH2HTR5A
SCHEMBL12269992 0.76 HRH2 (0.59) ADORA3ADORA1ADORA2AHTR2BHRH2
SCHEMBL22087932 0.76 ADORA1 (1.00) ADORA3ADORA1ADORA2AHTR2BOPRK1
SCHEMBL24220484 0.75 ADORA3 (0.72) ADORA3ADORA1ADORA2AHTR2BOPRK1
SCHEMBL12269874 0.75 HSP90B1 (0.59) ADORA3ADORA1ADORA2AHTR2BHRH2

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-12378248-B2 A1 adenosine receptor agonists and methods of use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-08-05 — — 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-12378248-B2 A1 adenosine receptor agonists and methods of use thereof ADORA1, ADORA2A, ADORA2B ADORA3 4/4885ADORA1 1/4885ADORA2A 2/4885

“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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