SCHEMBL20253089

SCHEMBL20253089

CC[N+](CC)(CC)CCCC[n+]1ccc(CCCc2cc[n+](CCCC[N+](CC)(CC)CC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
CHRNA7 P36544 2/20 0.40
CHRNA10 Q9GZZ6 2/20 0.40
CHRNA9 Q9UGM1 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL20224015 0.77 ACHE (0.67) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL50527 0.77 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL9671893 0.77 KCNH2 (0.62) KCNH2CHRM2CHRM5CHRM1CHRM3
SCHEMBL53656 0.76 HTT (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13527279 0.75 KMT2A (0.63) KCNH2CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL9672440 0.75 KCNH2 (0.66) KCNH2CHRM2CHRM5CHRM1CHRM3
Iodide SCHEMBL9671227 0.75 KCNH2 (0.66) KCNH2CHRM2CHRM5CHRM1CHRM3
Iodide SCHEMBL9671951 0.75 KCNH2 (0.66) KCNH2CHRM2CHRM5CHRM1CHRM3
Iodide SCHEMBL9671839 0.75 KCNH2 (0.66) KCNH2CHRM2CHRM5CHRM1CHRM3
SCHEMBL5299708 0.75 KMT2A (0.63) KCNH2CHRM2CHRM4CHRM5CHRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161364-A1 CATIONIC COMPOUNDS AND THEIR USE AS ANTIMYCOTIC AND ANTIMICROBIAL AGENTS CHIROBLOCK GMBH (DE) 2018-06-14 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-20180161364-A1 CATIONIC COMPOUNDS AND THEIR USE AS ANTIMYCOTIC AND ANTIMICROBIAL AGENTS MFN2, OTC, DPM1 KCNH2 638/4885CHRM2 3866/4885CHRM4 4297/4885

“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.