SCHEMBL4403530

SCHEMBL4403530

c1ccc(-c2ccc[n+](CCCc3cccc(CCC[n+]4cccc(-c5ccccc5)c4)c3)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.77
CHRNA10 Q9GZZ6 12/20 0.77
CHRNA9 Q9UGM1 12/20 0.77
LMNA P02545 2/20 0.56
CHRNB2 P17787 2/20 0.55
CHRNB4 P30926 2/20 0.55
CHRNA3 P32297 2/20 0.55
CHRNA4 P43681 2/20 0.55
HDAC1 Q13547 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC4 P56524 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL13267862 0.93 CHRNA7 (0.88) CHRNA7CHRNA10CHRNA9LMNACHRNB2
SCHEMBL12638115 0.87 CHRNA7 (1.00) CHRNA7CHRNA10CHRNA9LMNACHRNB2
SCHEMBL13262501 0.83 CHRNA7 (0.88) CHRNA7CHRNA10CHRNA9LMNACHRNB2
SCHEMBL4402115 0.81 BCHE (0.50) CHRNA7CHRNA10CHRNA9
SCHEMBL4407138 0.79 KDM4E (0.53) CHRNA7CHRNA10CHRNA9LMNAHDAC1
SCHEMBL13231574 0.77 CHRNA7 (1.00) CHRNA7CHRNA10CHRNA9LMNACHRNB2
SCHEMBL4403897 0.77 HDAC1 (0.48) CHRNA7CHRNA10CHRNA9LMNAHDAC1
SCHEMBL28336420 0.76 CHRNA7 (0.61) CHRNA7CHRNA10CHRNA9LMNACHRNB2
SCHEMBL4406234 0.75 CHRNA7 (0.77) CHRNA7CHRNA10CHRNA9
SCHEMBL4230954 0.75 CHRNA7 (0.55) CHRNA7CHRNA10CHRNA9LMNAHTT

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
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

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 CHRNA7 7/4885CHRNA10 4/4885CHRNA9 12/4885

“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.