SCHEMBL16884476

SCHEMBL16884476

CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)C(C)C)c1OCC[N+](CC)(CC)CC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.77
ALOX15 P16050 2/20 0.77
LMNA P02545 1/20 0.77
CHRM1 P11229 1/20 0.77
TSHR P16473 1/20 0.77
ACHE P22303 1/20 0.77
KCNH2 Q12809 1/20 0.77
HIF1A Q16665 1/20 0.77
CHRNA7 P36544 15/20 0.45
CHRNB4 P30926 11/20 0.45
CHRNA3 P32297 11/20 0.45
CHRNB2 P17787 9/20 0.45
CHRNA4 P43681 9/20 0.45
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 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
Gallamine SCHEMBL12638600 0.87 CHRM2 (1.00) CHRM2ALOX15LMNACHRM1TSHR
Gallamine SCHEMBL249090 0.86 CHRM2 (1.00) CHRM2ALOX15LMNACHRM1TSHR
SCHEMBL19300483 0.83 CHRM2 (0.90) CHRM2ALOX15LMNACHRM1TSHR
Gallamine SCHEMBL1736255 0.81 CHRM2 (0.87) CHRM2ALOX15LMNACHRM1TSHR
SCHEMBL8557526 0.67 LMNA (0.62) CHRM2ALOX15LMNACHRM1TSHR
SCHEMBL3265285 0.67 CHRM2 (0.59) CHRM2ALOX15LMNACHRM1TSHR
SCHEMBL1238407 0.66 LMNA (0.60) CHRM2ALOX15LMNACHRM1TSHR
SCHEMBL13658189 0.64 LMNA (0.58) CHRM2ALOX15LMNACHRM1TSHR
SCHEMBL13385235 0.63 CHRNA7 (1.00) ALOX15CHRNA7CHRNB4CHRNA3CHRNB2
SCHEMBL453505 0.63 CHRM2 (0.56) CHRM2ALOX15LMNACHRM1TSHR

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-20150191430-A1 CONJUGATES OF HUPERZINE AND ANALOGS THEREOF BISCAYNE NEUROTHERAPEUTICS, INC. 2015-07-09 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-20150191430-A1 CONJUGATES OF HUPERZINE AND ANALOGS THEREOF HTT, HNMT, GAP43 CHRM2 1699/4885ALOX15 686/4885LMNA 748/4885

“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.