SCHEMBL29697175

SCHEMBL29697175

CCCCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(O)cc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 4/20 0.66
▸ PRKACA P17612 2/20 0.58
▸ SLC29A1 Q99808 2/20 0.58
▸ DNPH1 O43598 1/20 0.58
▸ P2RX3 P56373 1/20 0.57
▸ P2RX2 Q9UBL9 1/20 0.57
▸ ADORA3 P0DMS8 2/20 0.56

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
SCHEMBL20435008 1.00 ADORA1 (0.66) ADORA1PRKACASLC29A1DNPH1P2RX3
SCHEMBL20435005 1.00 ADORA1 (0.66) ADORA1PRKACASLC29A1DNPH1P2RX3
SCHEMBL24505727 0.92 ADORA1 (0.65) ADORA1SLC29A1DNPH1ADORA3
SCHEMBL20435021 0.92 PRKACA (0.62) ADORA1PRKACASLC29A1DNPH1P2RX3
SCHEMBL29697091 0.92 PRKACA (0.62) ADORA1PRKACASLC29A1DNPH1P2RX3
SCHEMBL20435026 0.92 PRKACA (0.62) ADORA1PRKACASLC29A1DNPH1P2RX3
SCHEMBL20435004 0.89 SLC29A1 (0.57) ADORA1SLC29A1DNPH1ADORA3
SCHEMBL20434975 0.89 SLC29A1 (0.57) ADORA1SLC29A1DNPH1ADORA3
SCHEMBL20434976 0.88 DNPH1 (0.62) ADORA1SLC29A1DNPH1P2RX3P2RX2
SCHEMBL20434989 0.88 DNPH1 (0.62) ADORA1SLC29A1DNPH1P2RX3P2RX2

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-12129273-B2 Compound with analgesic effect for use in prevention and treatment of pain ACADEMIA SINICA (TW) 2024-10-29 — — US disclosed
US-20240010669-A1 COMPOUND WITH ANALGESIC EFFECT FOR USE IN PREVENTION AND TREATMENT OF PAIN ACADEMIA SINICA (TW) 2024-01-11 — — US disclosed
US-11753432-B2 Compound with analgesic effect for use in prevention and treatment of pain ACADEMIA SINICA (TW) 2023-09-12 — — US disclosed
EP-3573996-B1 COMPOUND WITH ANALGESIC EFFECT FOR USE IN PREVENTION AND TREATMENT OF PAIN ACADEMIA SINICA (TW) 2022-06-15 — — EP 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 (3 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-20240010669-A1 COMPOUND WITH ANALGESIC EFFECT FOR USE IN PREVENTION AND TREATMENT OF PAIN ADORA2B, ADORA1, ADORA3 ADORA1 2/4885PRKACA 2470/4885SLC29A1 310/4885
US-12129273-B2 Compound with analgesic effect for use in prevention and treatment of pain ADORA2B, ADORA1, ADORA3 ADORA1 2/4885PRKACA 2470/4885SLC29A1 310/4885
US-11753432-B2 Compound with analgesic effect for use in prevention and treatment of pain ADORA2B, ADORA1, ADORA3 ADORA1 2/4885PRKACA 2919/4885SLC29A1 347/4885

“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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