SCHEMBL12043593

SCHEMBL12043593

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 12/20 0.68
▸ BCHE P06276 6/20 0.62
▸ LMNA P02545 3/20 0.62
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ PKM P14618 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41

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
SCHEMBL10975941 0.84 ACHE (0.49) ACHEBCHELMNAMEN1KMT2A
SCHEMBL10815679 0.84 ACHE (0.61) ACHEBCHELMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL21981144 0.83 ACHE (0.51) ACHEBCHELMNAMEN1KMT2A
Metolcarb SCHEMBL11681132 0.79 LMNA (0.62) ACHEBCHELMNAKMT2AALDH1A1
Metolcarb SCHEMBL11000289 0.79 LMNA (0.62) ACHEBCHELMNAKMT2AALDH1A1
Iodide SCHEMBL29519167 0.78 ACHE (0.61) ACHEBCHELMNAMEN1KMT2A
Metolcarb SCHEMBL118244 0.77 LMNA (0.65) ACHEBCHELMNAKMT2AALDH1A1
SCHEMBL20264521 0.77 BCHE (0.55) ACHEBCHELMNAMEN1KMT2A
Metolcarb SCHEMBL29413999 0.77 LMNA (0.65) ACHEBCHELMNAKMT2AALDH1A1
SCHEMBL10971933 0.77 CYP3A4 (0.65) ACHEBCHELMNAALDH1A1KDM4E

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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