SCHEMBL6407981

SCHEMBL6407981

CCCN(C1CCc2ccc(NC(=O)NC(C)(C)C)cc2C1)C(C(=O)N1CCOCC1)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
NR1I3 Q14994 1/20 0.35
MCHR1 Q99705 3/20 0.35
EPHX2 P34913 1/20 0.34
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
S1PR1 P21453 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
DRD2 P14416 3/20 0.32
DRD3 P35462 3/20 0.32
DRD4 P21917 2/20 0.32
MAPK1 P28482 1/20 0.32
HTR1A P08908 1/20 0.32
MEN1 O00255 1/20 0.32
ADRB2 P07550 1/20 0.32
CYP2D6 P10635 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL6344109 0.91 ITGB3 (0.42) ITGB3ITGA2BMCHR1HPGDALOX15
SCHEMBL6337902 0.91 ITGB3 (0.42) ITGB3ITGA2BNR1I3MCHR1HPGD
SCHEMBL3389072 0.89 ITGB3 (0.43) ITGB3ITGA2BMCHR1HPGDALOX15
SCHEMBL6334882 0.87 ITGB3 (0.40) ITGB3ITGA2BMCHR1EPHX2DRD2
SCHEMBL6663365 0.83 DRD3 (0.37) ITGB3ITGA2BDRD2DRD3DRD4
SCHEMBL6342717 0.81 DRD2 (0.35) NR1I3MCHR1S1PR1DRD2DRD3
SCHEMBL3387814 0.80 DRD2 (0.42) ITGB3ITGA2BDRD2DRD3DRD4
SCHEMBL3385431 0.80 ITGB3 (0.46) ITGB3ITGA2BMCHR1MEN1KMT2A
SCHEMBL6407977 0.77 ITGB3 (0.41) ITGB3ITGA2BDRD2DRD3DRD4
SCHEMBL6619417 0.73 HTR1A (0.35) DRD2HTR1A

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 ITGB3 1652/4885ITGA2B 2820/4885NR1I3 178/4885
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists CHRM1, CHRM3, CHRM2 ITGB3 1652/4885ITGA2B 2820/4885NR1I3 178/4885

“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.