SCHEMBL21264286

SCHEMBL21264286

CCCN(CC)CC(=O)Nc1c(C)cccc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
LMNA P02545 4/20 0.64
MAPT P10636 3/20 0.64
MAPK1 P28482 2/20 0.64
CYP3A4 P08684 1/20 0.64
MC4R P32245 1/20 0.64
SCN4A P35499 1/20 0.64
MC3R P41968 1/20 0.64
HTR3A P46098 1/20 0.64
SCN5A Q14524 1/20 0.64
SCN9A Q15858 1/20 0.64
SCN3A Q9NY46 1/20 0.64
GAA P10253 4/20 0.63
BLM P54132 1/20 0.63
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.46
HPGD P15428 2/20 0.46

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
SCHEMBL16709550 0.88 LMNA (0.82) ALDH1A1LMNAMAPTMAPK1CYP3A4
SCHEMBL2097382 0.84 ALDH1A1 (0.65) ALDH1A1LMNAMAPTMAPK1CYP3A4
SCHEMBL18072316 0.84 MAPT (0.55) ALDH1A1LMNAMAPTMAPK1CYP3A4
SCHEMBL21264151 0.83 LMNA (0.74) ALDH1A1LMNAMAPTMAPK1CYP3A4
SCHEMBL21264241 0.82 LMNA (0.77) ALDH1A1LMNAMAPTMAPK1CYP3A4
SCHEMBL21261870 0.82 LMNA (0.72) ALDH1A1LMNAMAPTMAPK1CYP3A4
SCHEMBL23222281 0.81 ALDH1A1 (0.70) ALDH1A1LMNAMAPTMAPK1GAA
SCHEMBL12994774 0.81 MAPT (0.74) ALDH1A1LMNAMAPTMAPK1CYP3A4
SCHEMBL16677167 0.80 MAPT (0.78) ALDH1A1LMNAMAPTMAPK1CYP3A4
SCHEMBL7532501 0.80 PKM (0.56) ALDH1A1LMNAMAPTMAPK1CYP3A4

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-11697639-B2 Quaternary ammonium salt compound, preparation method therefor and use thereof WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2023-07-11 US disclosed
US-20210107872-A1 QUATERNARY AMMONIUM SALT COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2021-04-15 US disclosed
WO-2019154287-A1 QUATERNARY AMMONIUM SALT COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川大学华西医院 2019-08-15 WO 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 (2 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-11697639-B2 Quaternary ammonium salt compound, preparation method therefor and use thereof SCN11A, SLC6A11, SCN8A ALDH1A1 2705/4885LMNA 3589/4885MAPT 2140/4885
US-20210107872-A1 QUATERNARY AMMONIUM SALT COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, SLC6A11, SCN8A ALDH1A1 2705/4885LMNA 3589/4885MAPT 2140/4885

“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.