SCHEMBL21710766

SCHEMBL21710766

Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)O)CC[C@H]12

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 14/20 0.83
▸ P2RY2 P41231 5/20 0.83
▸ P2RY11 Q96G91 1/20 0.63
▸ ADORA3 P0DMS8 4/20 0.58
▸ HSP90AA1 P07900 2/20 0.58
▸ HSP90B1 P14625 2/20 0.58
▸ ADORA2A P29274 1/20 0.58
▸ ADORA1 P30542 1/20 0.58
▸ TMEM97 Q5BJF2 1/20 0.58
▸ SIGMAR1 Q99720 1/20 0.58

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
SCHEMBL19807382 0.99 P2RY1 (0.84) P2RY1P2RY2P2RY11ADORA3HSP90AA1
SCHEMBL21710861 0.93 P2RY1 (0.83) P2RY1P2RY2P2RY11ADORA3HSP90AA1
SCHEMBL19415062 0.93 P2RY1 (0.83) P2RY1P2RY2P2RY11ADORA3HSP90AA1
SCHEMBL19459900 0.91 P2RY1 (0.98) P2RY1P2RY2P2RY11ADORA3HSP90AA1
SCHEMBL19464861 0.91 P2RY1 (1.00) P2RY1P2RY2P2RY11ADORA3HSP90AA1
SCHEMBL19807424 0.88 P2RY1 (0.85) P2RY1P2RY2P2RY11
SCHEMBL19807425 0.88 P2RY1 (0.84) P2RY1P2RY2P2RY11ADORA3ADORA1
SCHEMBL19464975 0.87 P2RY1 (0.82) P2RY1P2RY2P2RY11ADORA3ADORA2A
SCHEMBL21710875 0.87 P2RY1 (0.85) P2RY1P2RY2P2RY11ADORA3
SCHEMBL19464972 0.87 P2RY1 (0.85) P2RY1P2RY2P2RY11ADORA3ADORA1

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 4 patents. 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
US-10953031-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2021-03-23 — — US disclosed
US-20210030760-A1 COMPOUNDS AND METHODS FOR TREATING ADDICTION AND RELATED DISORDERS ASTROCYTE PHARMACEUTICALS, INC. 2021-02-04 — — US disclosed
US-20200046751-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. 2020-02-13 — — 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 (4 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
US-10953031-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 P2RY1 1828/4885P2RY2 1796/4885P2RY11 2159/4885
US-20200046751-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 P2RY1 1828/4885P2RY2 1796/4885P2RY11 2159/4885
US-20210030760-A1 COMPOUNDS AND METHODS FOR TREATING ADDICTION AND RELATED DISORDERS SLC6A3, PNMT, CES2 P2RY1 2266/4885P2RY2 1900/4885P2RY11 2031/4885

“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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