SCHEMBL4399009

SCHEMBL4399009

Cc1cc[n+](CCOCCOCCOCC[n+]2ccc(C)c(C)c2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.52
CHRNA7 P36544 4/20 0.51
CHRNA10 Q9GZZ6 4/20 0.51
CHRNA9 Q9UGM1 4/20 0.51
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
ACHE P22303 3/20 0.48
HTT P42858 1/20 0.31

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
Iodide SCHEMBL26093412 0.98 CHRNA7 (0.50) BCHECHRNA7CHRNA10CHRNA9GRIN1
Hydrochloric Acid SCHEMBL2177775 0.98 CHRNA7 (0.50) BCHECHRNA7CHRNA10CHRNA9GRIN1
Hydrochloric Acid SCHEMBL30968372 0.98 CHRNA7 (0.50) BCHECHRNA7CHRNA10CHRNA9GRIN1
Hydrochloric Acid SCHEMBL26091078 0.98 CHRNA7 (0.50) BCHECHRNA7CHRNA10CHRNA9GRIN1
Iodide SCHEMBL26093408 0.98 CHRNA7 (0.50) BCHECHRNA7CHRNA10CHRNA9GRIN1
Hydrochloric Acid SCHEMBL3313461 0.86 CHRNA7 (0.44) BCHECHRNA7CHRNA10CHRNA9GRIN1
SCHEMBL4399002 0.79 ACHE (0.55) BCHEGRIN1GRIN2AACHEHTT
Hydrochloric Acid SCHEMBL2177070 0.77 ACHE (0.53) BCHEGRIN1GRIN2AACHEHTT
Water SCHEMBL31247957 0.77 CHRNA7 (0.67) BCHECHRNA7CHRNA10CHRNA9ACHE
SCHEMBL12533275 0.77 CHRNA7 (0.67) BCHECHRNA7CHRNA10CHRNA9ACHE

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-8178678-B2 Bis-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-05-15 US disclosed
US-8178678-B2 Bis-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-05-15 US disclosed
US-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-03-18 US disclosed
US-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-03-18 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-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA5, CHRNA4 BCHE 39/4885CHRNA7 7/4885CHRNA10 4/4885

“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.