SCHEMBL6344105

SCHEMBL6344105

CCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C1CCc2ccc(NC(=O)C(C)(C)C)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
DRD2 P14416 7/20 0.41
DRD3 P35462 6/20 0.41
DRD4 P21917 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTR1A P08908 3/20 0.41
CYP2D6 P10635 2/20 0.41
ADRB2 P07550 1/20 0.41
CASP1 P29466 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6407977 0.91 ITGB3 (0.41) ITGB3ITGA2BDRD2DRD3DRD4
SCHEMBL3389066 0.89 MCHR1 (0.44) ITGB3ITGA2BDRD2DRD3DRD4
SCHEMBL6337899 0.87 ITGB3 (0.41) ITGB3ITGA2BDRD2DRD3DRD4
SCHEMBL6334881 0.87 DRD3 (0.42) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6334866 0.85 DRD2 (0.41) ITGB3ITGA2BDRD2DRD3DRD4
SCHEMBL6336423 0.85 DRD2 (0.41) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6345830 0.84 DRD2 (0.43) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL3387783 0.84 DRD2 (0.51) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6336517 0.82 DRD2 (0.60) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6337111 0.82 DRD2 (0.60) 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 ITGB3 1652/4885ITGA2B 2820/4885DRD2 50/4885
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists CHRM1, CHRM3, CHRM2 ITGB3 1652/4885ITGA2B 2820/4885DRD2 50/4885

“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.