SCHEMBL4399002

SCHEMBL4399002

Cc1cc[n+](CCOCCOCCOCC[n+]2ccc(C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.55
BCHE P06276 4/20 0.48
HTT P42858 3/20 0.48
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
CHKA P35790 1/20 0.42
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GLA P06280 1/20 0.35
UBE2N P61088 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAD52 P43351 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33

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
Hydrochloric Acid SCHEMBL2177070 0.98 ACHE (0.53) ACHEBCHEHTTGRIN1GRIN2A
SCHEMBL12533284 0.98 ACHE (0.57) ACHEBCHEHTTGRIN1GRIN2A
Hydrochloric Acid SCHEMBL3313817 0.84 HTT (0.62) ACHEHTTMEN1MAPTMAPK1
SCHEMBL21290572 0.79 HTT (0.61) ACHEBCHEHTTCHKAMEN1
SCHEMBL4399009 0.79 BCHE (0.52) ACHEBCHEHTTGRIN1GRIN2A
Hydrochloric Acid SCHEMBL2177775 0.77 CHRNA7 (0.50) ACHEBCHEGRIN1GRIN2A
Iodide SCHEMBL26093408 0.77 CHRNA7 (0.50) ACHEBCHEGRIN1GRIN2A
Hydrochloric Acid SCHEMBL26091078 0.77 CHRNA7 (0.50) ACHEBCHEGRIN1GRIN2A
SCHEMBL4401483 0.77 BCHE (0.50) ACHEBCHEHTTGRIN1GRIN2A
Hydrochloric Acid SCHEMBL30968372 0.77 CHRNA7 (0.50) ACHEBCHEGRIN1GRIN2A

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 3 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-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 ACHE 22/4885BCHE 39/4885HTT 603/4885

“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.