SCHEMBL4402996

SCHEMBL4402996

Cc1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(C)c(C)c4)cc3)cc2)cc1C

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 4/20 0.66
▸ CHRNA10 Q9GZZ6 4/20 0.66
▸ CHRNA9 Q9UGM1 4/20 0.66
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ CHKA P35790 8/20 0.46
▸ ACHE P22303 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ BCHE P06276 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
SCHEMBL5307716 0.84 ALDH1A1 (0.53) CHRNA7CHRNA10CHRNA9KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7307884 0.82 ALDH1A1 (0.56) CHRNA7CHRNA10CHRNA9KDM4EALDH1A1
SCHEMBL4398944 0.79 CHRNA7 (1.00) CHRNA7CHRNA10CHRNA9KDM4ERAB9A
SCHEMBL4407306 0.77 CHKA (0.73) KDM4EALDH1A1RAB9ACHKAACHE
SCHEMBL4404405 0.74 LMNA (0.62) KDM4EALDH1A1RAB9ACHKALMNA
SCHEMBL10188714 0.73 CHRNA7 (0.73) CHRNA7CHRNA10CHRNA9CHKA
SCHEMBL5295848 0.72 CHRNA7 (0.50) CHRNA7CHRNA10CHRNA9KDM4ERAB9A
SCHEMBL13334263 0.71 CHRNA7 (0.80) CHRNA7CHRNA10CHRNA9ACHEBCHE
SCHEMBL19601103 0.71 KDM4A (0.43) CHRNA7CHRNA10CHRNA9KDM4EALDH1A1
Bromide SCHEMBL3310517 0.70 CHRNA7 (0.81) CHRNA7CHRNA10CHRNA9ACHEBCHE

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.

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