SCHEMBL12043598

SCHEMBL12043598

CCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 13/20 0.73
▸ BCHE P06276 10/20 0.73
▸ LMNA P02545 2/20 0.73
▸ MEN1 O00255 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ NPSR1 Q6W5P4 1/20 0.71
▸ FAAH O00519 1/20 0.59
▸ MARK4 Q96L34 1/20 0.52
▸ MAOB P27338 3/20 0.49
▸ MAOA P21397 1/20 0.49

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
SCHEMBL29388689 0.90 ACHE (0.78) ACHEBCHELMNAMEN1KMT2A
SCHEMBL12043609 0.87 ACHE (0.70) ACHEBCHELMNAMEN1KMT2A
Demecarium SCHEMBL31649032 0.86 ACHE (0.69) ACHEBCHELMNAMEN1KMT2A
Demecarium SCHEMBL61421 0.86 ACHE (0.69) ACHEBCHELMNAMEN1KMT2A
Demecarium SCHEMBL34283 0.85 ACHE (0.70) ACHEBCHELMNAMEN1KMT2A
Demecarium SCHEMBL29425243 0.85 ACHE (0.70) ACHEBCHELMNAMEN1KMT2A
Neostigmine SCHEMBL8026154 0.84 ACHE (1.00) ACHEBCHELMNAMEN1KMT2A
Neostigmine SCHEMBL29603805 0.84 ACHE (1.00) ACHEBCHELMNAMEN1KMT2A
Neostigmine SCHEMBL34419 0.84 ACHE (1.00) ACHEBCHELMNAMEN1KMT2A
Neostigmine SCHEMBL16228482 0.83 ACHE (0.97) ACHEBCHELMNAMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012170599-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2012-12-13 — — WO disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 — — 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-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 ACHE 18/4885BCHE 42/4885LMNA 3625/4885

“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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