SCHEMBL24436940

SCHEMBL24436940

CC(=O)OC[C@@H]1CC[C@H](n2cnc3c(NC4CCCC4)ncnc32)O1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.55
▸ ADORA2A P29274 2/20 0.52
▸ ADORA2B P29275 2/20 0.52
▸ TAS1R3 Q7RTX0 1/20 0.52
▸ TAS1R1 Q7RTX1 1/20 0.52
▸ ADORA1 P30542 1/20 0.52

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
SCHEMBL22452057 1.00 ADORA3 (0.55) ADORA3ADORA2AADORA2BTAS1R3TAS1R1
SCHEMBL9587879 0.85 ADORA3 (0.46) ADORA3ADORA2AADORA2BADORA1
Methyl Alcohol SCHEMBL9587418 0.84 ADORA3 (0.46) ADORA3ADORA2AADORA2BADORA1
SCHEMBL13312947 0.84 TSHR (0.64) ADORA3ADORA2AADORA2BADORA1
SCHEMBL22452225 0.84 TSHR (0.64) ADORA3ADORA2AADORA2BADORA1
SCHEMBL12157290 0.83 ADORA2A (0.65) ADORA3ADORA2AADORA2BADORA1
SCHEMBL9121390 0.83 ALDH1A1 (0.45) ADORA3
SCHEMBL21427226 0.82 BCHE (0.55) ADORA2A
SCHEMBL6243153 0.82 BCHE (0.55) ADORA2A
SCHEMBL24021895 0.82 ALDH1A1 (0.45) ADORA3

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-20220152077-A1 ADENOSINE RECEPTOR AGONISTS THE UNIVERSITY OF WARWICK (GB) 2022-05-19 — — 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-20220152077-A1 ADENOSINE RECEPTOR AGONISTS ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA2A 2/4885ADORA2B 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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