SCHEMBL26934769

SCHEMBL26934769

CNc1ncnc2c1ncn2[C@@H]1C2C[C@@]2(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 13/20 1.00
▸ P2RY2 P41231 6/20 1.00
▸ P2RY11 Q96G91 1/20 0.77
▸ ADORA3 P0DMS8 2/20 0.63
▸ P2RY4 P51582 1/20 0.54

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
SCHEMBL26934770 0.99 P2RY1 (0.98) P2RY1P2RY2P2RY11ADORA3P2RY4
SCHEMBL21710863 0.99 P2RY1 (0.98) P2RY1P2RY2P2RY11ADORA3P2RY4
SCHEMBL19503289 0.92 P2RY1 (0.85) P2RY1P2RY2P2RY11ADORA3
SCHEMBL19807529 0.92 P2RY1 (0.84) P2RY1P2RY2P2RY11ADORA3
SCHEMBL19464971 0.91 P2RY1 (0.83) P2RY1P2RY2P2RY11ADORA3
SCHEMBL19459473 0.88 P2RY1 (0.83) P2RY1P2RY2P2RY11ADORA3P2RY4
SCHEMBL19503293 0.87 P2RY1 (1.00) P2RY1P2RY2P2RY11ADORA3
SCHEMBL19459517 0.87 P2RY1 (0.82) P2RY1P2RY2P2RY11ADORA3P2RY4
SCHEMBL29317531 0.87 P2RY1 (1.00) P2RY1P2RY2P2RY11ADORA3
SCHEMBL19503936 0.87 P2RY1 (1.00) P2RY1P2RY2P2RY11ADORA3

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-11839615-B2 Compounds and methods for treating addiction and related disorders ASTROCYTE PHARMACEUTICALS, INC. (US) 2023-12-12 — — 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-11839615-B2 Compounds and methods for treating addiction and related disorders ADORA2A, TAAR5, ADORA3 P2RY1 113/4885P2RY2 119/4885P2RY11 141/4885

“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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