SCHEMBL6337992

SCHEMBL6337992

CCCN(C1CCc2ccc(OC)cc2C1)C(C1CCNCC1)S(=O)(=O)c1cn(C)cn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.47
DRD3 P35462 11/20 0.47
DRD4 P21917 4/20 0.47
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACHE P22303 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6337136 0.97 DRD2 (0.47) DRD2DRD3DRD4FNTAFNTB
SCHEMBL6638006 0.90 DRD2 (0.41) DRD2DRD3DRD4FNTAFNTB
SCHEMBL6335385 0.83 DRD2 (0.57) DRD2DRD3DRD4CA1CA2
SCHEMBL6345233 0.83 DRD2 (0.57) DRD2DRD3DRD4CA1CA2
SCHEMBL6334431 0.83 DRD2 (0.53) DRD2DRD3DRD4CA1CA2
SCHEMBL6342899 0.80 DRD2 (0.49) DRD2DRD3DRD4
SCHEMBL6344096 0.80 DRD3 (0.57) DRD2DRD3DRD4CA1CA2
SCHEMBL6338269 0.80 DRD3 (0.53) DRD2DRD3DRD4
SCHEMBL6346804 0.79 DRD3 (0.56) DRD2DRD3DRD4CA1CA2
SCHEMBL6336496 0.77 DRD3 (0.46) DRD2DRD3DRD4MEN1KMT2A

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 DRD2 50/4885DRD3 56/4885DRD4 149/4885
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists CHRM1, CHRM3, CHRM2 DRD2 50/4885DRD3 56/4885DRD4 149/4885

“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.