SCHEMBL6345910

SCHEMBL6345910

CCCN(CC1CCN(C(=O)NC)CC1)C1CCc2cc(OC)c(OC)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
FYN P06241 1/20 0.46
DRD2 P14416 6/20 0.44
DRD3 P35462 5/20 0.44
DRD4 P21917 3/20 0.44

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
SCHEMBL6343814 0.89 ALDH1A1 (0.51) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL6334435 0.88 DRD2 (0.62) CYP2D6DRD2DRD3DRD4
SCHEMBL6344935 0.88 DRD3 (0.62) DRD2DRD3DRD4
SCHEMBL3388549 0.87 ALDH1A1 (0.49) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL6336486 0.87 ALDH1A1 (0.49) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL6334373 0.87 ALDH1A1 (0.49) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL6344274 0.86 ALDH1A1 (0.48) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL6337152 0.85 ALDH1A1 (0.47) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL6340997 0.85 ALDH1A1 (0.47) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL6338499 0.81 GAA (0.52) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1

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-6864266-B2 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2005-03-08 US disclosed
EP-1453805-A1 4-PIPERIDINYL ALKYLAMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-08 EP 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
WO-2003048124-A1 4-PIPERIDINYL ALKYLAMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-12 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-20030162780-A1 4-PIPERIDINYL ALKYL AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM1, CHRM3, CHRM2 ALDH1A1 1115/4885CYP2D6 613/4885CYP2C9 1052/4885
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists CHRM1, CHRM3, CHRM2 ALDH1A1 1115/4885CYP2D6 613/4885CYP2C9 1052/4885

“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.