SCHEMBL24615097

SCHEMBL24615097

CNC(=O)[C@]12CC1[C@@H](n1cnc3c(NC)nc(-n4cc(-c5ccccc5Cl)nn4)nc31)[C@H](O)[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TMIGD3 P0DMS9 10/20 1.00
▸ ADORA3 P0DMS8 11/20 0.80

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
SCHEMBL16774186 1.00 TMIGD3 (1.00) TMIGD3ADORA3
SCHEMBL21779335 1.00 TMIGD3 (1.00) TMIGD3ADORA3
SCHEMBL18352475 0.94 TMIGD3 (0.89) TMIGD3ADORA3
SCHEMBL20122115 0.90 TMIGD3 (1.00) TMIGD3ADORA3
SCHEMBL16774176 0.90 TMIGD3 (1.00) TMIGD3ADORA3
SCHEMBL22359827 0.89 ADORA3 (1.00) TMIGD3ADORA3
SCHEMBL16774145 0.89 ADORA3 (1.00) TMIGD3ADORA3
SCHEMBL16774407 0.88 ADORA3 (1.00) TMIGD3ADORA3
SCHEMBL20122118 0.88 ADORA3 (1.00) TMIGD3ADORA3
SCHEMBL16774188 0.88 ADORA3 (1.00) TMIGD3ADORA3

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 TMIGD3 1620/4885ADORA3 1/4885

“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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