SCHEMBL3389944

SCHEMBL3389944

CCCN(CC1CCNCC1)C1CCc2ccc(OS(=O)(=O)c3c(C)noc3C)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.46
DRD3 P35462 12/20 0.46
DRD4 P21917 6/20 0.46
MAPT P10636 2/20 0.40
HTR1D P28221 1/20 0.40
HTR1A P08908 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADRB2 P07550 1/20 0.39
CYP2D6 P10635 1/20 0.39
CASP1 P29466 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL3390892 0.91 DRD2 (0.40) DRD2DRD3DRD4MAPTMEN1
SCHEMBL3387755 0.87 DRD2 (0.43) DRD2DRD3DRD4MAPTHTR1A
SCHEMBL6788728 0.85 DRD2 (0.41) DRD2DRD3DRD4MAPTHTR1A
SCHEMBL3388370 0.84 DRD2 (0.41) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL6593135 0.82 DRD2 (0.42) DRD2DRD3DRD4HTR1DHTR1A
SCHEMBL3390894 0.81 MAPT (0.36) DRD2DRD3DRD4MAPTHTR1A
SCHEMBL3392406 0.81 MAPT (0.40) DRD2DRD3DRD4MAPTHTR1D
SCHEMBL3390359 0.80 DRD2 (0.53) DRD2DRD3DRD4HTR1DHTR1A
SCHEMBL6590352 0.79 DRD3 (0.42) DRD2DRD3DRD4MAPTHTR1D
SCHEMBL6343662 0.79 DRD2 (0.74) DRD2DRD3DRD4MAPTHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453805-B1 4-PIPERIDINYL ALKYLAMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
EP-1453805-B1 4-PIPERIDINYL ALKYLAMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
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 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.