SCHEMBL6743572

SCHEMBL6743572

CCN(CC)CCOC(=O)c1ccc(N(C)Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 3/20 0.68
SCN2A Q99250 3/20 0.68
SCN3A Q9NY46 3/20 0.68
LMNA P02545 2/20 0.68
HRH3 Q9Y5N1 4/20 0.67
TSHR P16473 3/20 0.67
CYP2D6 P10635 3/20 0.67
MAOA P21397 3/20 0.67
HTR3A P46098 2/20 0.67
BLM P54132 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
ATM Q13315 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 3/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KCNH2 Q12809 3/20 0.51
CYP1A2 P05177 2/20 0.51

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
SCHEMBL3381482 0.90 HRH3 (0.68) SCN1ASCN2ASCN3ALMNAHRH3
SCHEMBL11584964 0.88 TSHR (0.70) SCN1ASCN2ASCN3ALMNAHRH3
SCHEMBL6747415 0.87 TSHR (0.68) SCN1ASCN2ASCN3ALMNAHRH3
Iodomethane SCHEMBL11583887 0.85 TSHR (0.67) SCN1ASCN2ASCN3ALMNAHRH3
SCHEMBL11581724 0.84 TSHR (0.65) SCN1ASCN2ASCN3ALMNAHRH3
Methylene Chloride SCHEMBL11582056 0.84 HRH3 (0.65) SCN1ASCN2ASCN3ALMNAHRH3
SCHEMBL3380743 0.84 TSHR (0.68) SCN1ASCN2ASCN3ALMNAHRH3
SCHEMBL28853482 0.81 CYP2D6 (0.74) SCN1ASCN2ASCN3ALMNAHRH3
SCHEMBL8489298 0.81 TSHR (0.74) SCN1ASCN2ASCN3ALMNAHRH3
Parethoxycaine SCHEMBL25944 0.81 SCN1A (1.00) SCN1ASCN2ASCN3ALMNAHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214867-A1 Quaternary salts of n-substituted cyclic or acyclic amines as pharmaceuticals UCB FARCHIM S.A. (CH) 2004-10-28 US claimed
EP-1278736-A1 QUATERNARY SALTS OF N-SUBSTITUTED CYCLIC OR ACYCLIC AMINES AS PHARMACEUTICALS UCB FARCHIM S.A. (CH) 2003-01-29 EP claimed
WO-2001044218-A1 QUATERNARY SALTS OF N-SUBSTITUTED CYCLIC OR ACYCLIC AMINES AS PHARMACEUTICALS UCB FARCHIM S.A. (CH) 2001-06-21 WO claimed
US-20040214867-A1 Quaternary salts of n-substituted cyclic or acyclic amines as pharmaceuticals UCB FARCHIM S.A. (CH) 2004-10-28 US disclosed
EP-1278736-A1 QUATERNARY SALTS OF N-SUBSTITUTED CYCLIC OR ACYCLIC AMINES AS PHARMACEUTICALS UCB FARCHIM S.A. (CH) 2003-01-29 EP disclosed
WO-2001044218-A1 QUATERNARY SALTS OF N-SUBSTITUTED CYCLIC OR ACYCLIC AMINES AS PHARMACEUTICALS UCB FARCHIM S.A. (CH) 2001-06-21 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 (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-20040214867-A1 Quaternary salts of n-substituted cyclic or acyclic amines as pharmaceuticals KCNJ11, NPY1R, NPY5R SCN1A 103/4885SCN2A 297/4885SCN3A 322/4885

“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.