SCHEMBL6334802

SCHEMBL6334802

CCCN(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CCc2cc(OC)c(OC)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 7/20 0.44
DRD3 P35462 6/20 0.44
DRD4 P21917 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41

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
SCHEMBL6345800 0.85 ALDH1A1 (0.53) MAPK1KMT2ADRD2DRD3DRD4
SCHEMBL6334412 0.84 ALDH1A1 (0.51) MAPK1DRD2DRD3DRD4ALDH1A1
SCHEMBL6336607 0.82 ALDH1A1 (0.49) MAPK1DRD2DRD3DRD4ALDH1A1
SCHEMBL6343781 0.81 ALDH1A1 (0.47) MAPK1DRD2DRD3DRD4ALDH1A1
SCHEMBL6343814 0.76 ALDH1A1 (0.51) MAPK1DRD2DRD3DRD4ALDH1A1
SCHEMBL31208106 0.76 DRD2 (0.61) DRD2DRD3DRD4
SCHEMBL6342891 0.75 DRD2 (0.59) LMNAKMT2ADRD2DRD3DRD4
SCHEMBL6338497 0.75 DRD2 (0.59) DRD2DRD3DRD4
SCHEMBL6335392 0.75 DRD2 (0.67) LMNAKMT2ADRD2DRD3DRD4
SCHEMBL6344103 0.75 DRD3 (0.67) DRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6864266-B2 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2005-03-08 US disclosed
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists BROTHERTON-PLEISS CHRISTINE E (US) 2004-05-13 US disclosed
US-6627644-B2 Muscarinic receptor antagonists and parasympathetic nervous system. The physiological actions of Acetylcholine are mediated by activation of either nicotinic or muscarinic receptors SYNTEX (U.S.A.) LLC 2003-09-30 US disclosed
US-20030162780-A1 4-PIPERIDINYL ALKYL AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) LLC, NAME CHANGED TO ROCHE PALO ALTO LLC 2003-08-28 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 (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-20030162780-A1 4-PIPERIDINYL ALKYL AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM1, CHRM3, CHRM2 MAPK1 954/4885LMNA 3681/4885TSHR 99/4885
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists CHRM1, CHRM3, CHRM2 MAPK1 954/4885LMNA 3681/4885TSHR 99/4885

“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.