SCHEMBL6346802

SCHEMBL6346802

CCCS(=O)(=O)N1CCC(CC(CCN)C2CCc3cc(OC)ccc3C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
ACHE P22303 3/20 0.40
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
CHRM2 P08172 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
AVPR1A P37288 3/20 0.38
AVPR1B P47901 3/20 0.38
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP26A1 O43174 1/20 0.36

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
SCHEMBL6344101 0.89 CA1 (0.43) CA1CA2ACHEDRD2DRD3
SCHEMBL6338274 0.86 SIGMAR1 (0.44) CA1CA2ACHEALDH1A1SIGMAR1
SCHEMBL6345240 0.85 CA1 (0.43) CA1CA2ACHEDRD2DRD3
SCHEMBL6335390 0.85 CA1 (0.43) CA1CA2ACHEDRD2DRD3
SCHEMBL6338503 0.83 HTR2A (0.41) CA1CA2ACHEALDH1A1SIGMAR1
SCHEMBL6334436 0.82 SIGMAR1 (0.44) CA1CA2ACHEALDH1A1DRD2
SCHEMBL6665870 0.82 ALDH1A1 (0.40) CA1CA2ALDH1A1TSHR
SCHEMBL6337134 0.81 MMP1 (0.43) MAPT
SCHEMBL6342896 0.80 HTR6 (0.42) CA1CA2ACHEALDH1A1DRD2
SCHEMBL6336495 0.78 ALDH1A1 (0.40) CA1CA2ALDH1A1TSHR

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 CA1 3746/4885CA2 2389/4885ACHE 382/4885
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists CHRM1, CHRM3, CHRM2 CA1 3746/4885CA2 2389/4885ACHE 382/4885

“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.