SCHEMBL24615124

SCHEMBL24615124

CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(F)s4)nc31)C(O)[C@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 1.00
▸ ADORA2A P29274 2/20 1.00
▸ ADORA1 P30542 2/20 0.83
▸ SLC6A2 P23975 3/20 0.83
▸ SLC6A3 Q01959 3/20 0.83
▸ KCNH2 Q12809 3/20 0.83
▸ CYP2D6 P10635 1/20 0.83

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
SCHEMBL20122143 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1SLC6A2SLC6A3
SCHEMBL21779301 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1SLC6A2SLC6A3
SCHEMBL24615068 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1SLC6A2SLC6A3
SCHEMBL24615115 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1SLC6A2SLC6A3
SCHEMBL21779341 0.91 ADORA3 (1.00) ADORA3ADORA2AADORA1SLC6A2SLC6A3
SCHEMBL22359740 0.91 ADORA3 (1.00) ADORA3ADORA2ASLC6A2SLC6A3KCNH2
SCHEMBL21779320 0.91 ADORA3 (1.00) ADORA3ADORA2AADORA1SLC6A2SLC6A3
SCHEMBL20122097 0.91 ADORA3 (1.00) ADORA3ADORA2AADORA1SLC6A2SLC6A3
SCHEMBL16774158 0.91 ADORA3 (1.00) ADORA3ADORA2AADORA1SLC6A2SLC6A3
SCHEMBL30255426 0.91 ADORA3 (1.00) ADORA3ADORA2AADORA1SLC6A2SLC6A3

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-20220218712-A1 TREATMENT OF ALZHEIMER'S DISEASE SAINT LOUIS UNIVERSITY 2022-07-14 — — 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-20220218712-A1 TREATMENT OF ALZHEIMER'S DISEASE ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA2A 2/4885ADORA1 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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