SCHEMBL4403538

SCHEMBL4403538

Cc1cc[n+](CCCc2cccc(CCC[n+]3ccc(C)cc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
CHRNA7 P36544 6/20 0.46
CHRNA10 Q9GZZ6 6/20 0.46
CHRNA9 Q9UGM1 6/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
RAD52 P43351 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CHKA P35790 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 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
SCHEMBL4398933 0.93 HTT (0.56) HTTCHRNA7CHRNA10CHRNA9MEN1
SCHEMBL5292316 0.86 KDM4E (0.53) HTTCHRNA7CHRNA10CHRNA9MEN1
SCHEMBL4402115 0.84 BCHE (0.50) CHRNA7CHRNA10CHRNA9BCHEACHE
SCHEMBL4403361 0.83 CHRNA7 (0.41) CHRNA7CHRNA10CHRNA9MAPTRAD52
SCHEMBL12638099 0.82 HTT (0.62) HTTCHRNA7CHRNA10CHRNA9MEN1
SCHEMBL4407138 0.82 KDM4E (0.53) CHRNA7CHRNA10CHRNA9MAPTRAD52
SCHEMBL4404627 0.82 CHRNA7 (0.71) CHRNA7CHRNA10CHRNA9MAPTRAD52
SCHEMBL4400715 0.80 CHRNA7 (0.68) HTTCHRNA7CHRNA10CHRNA9MEN1
SCHEMBL13334058 0.79 HTT (0.58) HTTCHRNA7CHRNA10CHRNA9CHKA
SCHEMBL4403750 0.79 TAAR1 (0.41) CHRNA7CHRNA10CHRNA9KDM4ERAB9A

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 HTT 603/4885CHRNA7 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.