SCHEMBL13334261

SCHEMBL13334261

Cc1cc[n+](CCCCCc2ccc(-c3ccccc3)cc2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.46
CHRNA10 Q9GZZ6 8/20 0.46
CHRNA9 Q9UGM1 8/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD11B1 P28845 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC1 Q13547 1/20 0.40
KCNH2 Q12809 1/20 0.38

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 SCHEMBL3312230 0.99 CHRNA7 (0.47) CHRNA7CHRNA10CHRNA9NPC1RAB9A
SCHEMBL13334053 0.91 NPC1 (0.49) CHRNA7CHRNA10CHRNA9NPC1RAB9A
Bromide SCHEMBL3317318 0.90 NPC1 (0.51) CHRNA7CHRNA10CHRNA9NPC1RAB9A
SCHEMBL4401493 0.90 CHRNA7 (0.46) CHRNA7CHRNA10CHRNA9NPC1RAB9A
SCHEMBL4400594 0.88 NPC1 (0.42) CHRNA7CHRNA10CHRNA9NPC1RAB9A
SCHEMBL13334226 0.84 NPC1 (0.65) CHRNA7CHRNA10CHRNA9NPC1RAB9A
Bromide SCHEMBL3313498 0.83 NPC1 (0.68) CHRNA7CHRNA10CHRNA9NPC1RAB9A
SCHEMBL4400673 0.82 NPC1 (0.45) CHRNA7CHRNA10CHRNA9NPC1RAB9A
SCHEMBL13334116 0.82 HTT (0.43) NPC1RAB9APOLBSMN1; SMN2
Bromide SCHEMBL3307928 0.81 HTT (0.42) CHRNA7CHRNA10CHRNA9NPC1RAB9A

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.