SCHEMBL22121364

SCHEMBL22121364

CCCCOC(=O)NC/C=C/CN

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 14/20 0.50
▸ HRH4 Q9H3N8 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ EPHX1 P07099 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL22121365 1.00 ACHE (0.50) ACHEHRH4HRH3EPHX1NPC1
SCHEMBL30010462 0.83 ACHE (0.50) ACHEHRH4HRH3EPHX1
SCHEMBL31113456 0.83 ACHE (0.50) ACHEHRH4HRH3EPHX1
SCHEMBL4921718 0.83 ACHE (0.53) ACHEEPHX1
SCHEMBL12393903 0.82 HRH4 (0.50) ACHEHRH4HRH3
SCHEMBL345235 0.79 ACHE (0.56) ACHEEPHX1
SCHEMBL15775056 0.78 ACHE (0.60) ACHEEPHX1
SCHEMBL1486852 0.77 ACHE (0.55) ACHEEPHX1
SCHEMBL855002 0.75 ACHE (0.67) ACHEEPHX1
SCHEMBL11146652 0.74 ACHE (0.50) ACHEHRH4HRH3

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
EP-4673445-A1 STING AGONISTS CONTAINING BENZYLIC ALCOHOL AND BENZYLIC AMINE FUNCTIONAL GROUPS BioNTech SE (DE) 2026-01-07 — — EP disclosed
WO-2024180103-A1 STING AGONISTS CONTAINING BENZYLIC ALCOHOL AND BENZYLIC AMINE FUNCTIONAL GROUPS BioNTech SE (DE) 2024-09-06 — — WO disclosed
US-20220267364-A1 HETEROCYCLIC AMIDE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2022-08-25 — — US disclosed
WO-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO 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-20220267364-A1 HETEROCYCLIC AMIDE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF STING1, CGAS, VIP ACHE 1432/4885HRH4 67/4885HRH3 200/4885

“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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