SCHEMBL4403595

SCHEMBL4403595

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

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.82
MEN1 O00255 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
BCHE P06276 8/20 0.54
ACHE P22303 8/20 0.54
CHKA P35790 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL12533274 1.00 HTT (0.82) HTTMEN1TP53CYP1A2CYP2D6
Bromide SCHEMBL30903821 0.97 HTT (0.78) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL12533280 0.97 HTT (0.77) HTTMEN1TP53CYP1A2CYP2D6
Iodide SCHEMBL1932275 0.94 HTT (0.74) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL18234751 0.92 HTT (0.70) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL1816189 0.91 HTT (1.00) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL2330291 0.91 HTT (1.00) HTTMEN1TP53CYP1A2CYP2D6
Miripirium SCHEMBL3477808 0.91 HTT (1.00) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL5305098 0.91 HTT (1.00) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL2870371 0.91 HTT (1.00) HTTMEN1TP53CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024169380-A1 MONOMER M1 AND DIMER D1, AND PREPARATION METHOD THEREFOR AND USE THEREOF 东南大学 2024-08-22 WO claimed
CN-116239584-B Monomer M1, dimer D1 and preparation method and application thereof 东南大学 2024-06-11 CN claimed
CN-116239584-A Monomer M1, dimer D1 and preparation method and application thereof 东南大学 2023-06-09 CN claimed
WO-2024169380-A1 MONOMER M1 AND DIMER D1, AND PREPARATION METHOD THEREFOR AND USE THEREOF 东南大学 2024-08-22 WO disclosed
CN-116239584-B Monomer M1, dimer D1 and preparation method and application thereof 东南大学 2024-06-11 CN disclosed
CN-116239584-A Monomer M1, dimer D1 and preparation method and application thereof 东南大学 2023-06-09 CN 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 HTT 603/4885MEN1 4255/4885TP53 4052/4885

“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.