SCHEMBL13334206

SCHEMBL13334206

Cc1cc(C)c[n+](CCCC#Cc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 6/20 0.59
▸ CHRNA10 Q9GZZ6 6/20 0.59
▸ CHRNA9 Q9UGM1 6/20 0.59
▸ CHRNB2 P17787 2/20 0.52
▸ CHRNB4 P30926 2/20 0.52
▸ CHRNA3 P32297 2/20 0.52
▸ CHRNA4 P43681 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP1A1 P04798 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
Bromide SCHEMBL3311264 0.99 CHRNA7 (0.60) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL13334215 0.86 CHRNA7 (0.67) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL13334255 0.86 CHRNA7 (0.58) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
Bromide SCHEMBL3312133 0.85 CHRNA7 (0.68) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
Bromide SCHEMBL3312025 0.84 CHRNA7 (0.59) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL4400709 0.82 CHRNA7 (0.50) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL12638076 0.82 CHRNA7 (0.51) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL13334266 0.81 CHRNA7 (0.62) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL13334233 0.81 CHRNA7 (0.67) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL4398816 0.81 CHRNA7 (0.51) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4

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-9550753-B2 Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2017-01-24 — — US disclosed
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIV KENTUCKY RES FOUND (US) 2014-12-18 — — US disclosed
US-8846937-B2 Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-09-30 — — US disclosed
US-20100113511-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-05-06 — — 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 (2 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-20100113511-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA4, CHRNA5 CHRNA7 8/4885CHRNA10 4/4885CHRNA9 13/4885
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA4, CHRNA5 CHRNA7 8/4885CHRNA10 4/4885CHRNA9 13/4885

“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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