SCHEMBL3390894

SCHEMBL3390894

CCCN(C1CCc2ccc(OS(=O)(=O)c3c(C)noc3C)cc2C1)C(C(=O)C1CCNCC1)C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
DRD2 P14416 10/20 0.36
DRD3 P35462 10/20 0.36
DRD4 P21917 7/20 0.36
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP2D6 P10635 2/20 0.32
HTR1A P08908 1/20 0.32
ADRB2 P07550 1/20 0.32
CASP1 P29466 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 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
SCHEMBL6620561 0.89 MAPT (0.34) MAPTDRD2DRD3DRD4KMT2A
SCHEMBL3392406 0.81 MAPT (0.40) MAPTDRD2DRD3DRD4TSHR
SCHEMBL3389944 0.81 DRD2 (0.46) MAPTDRD2DRD3DRD4MEN1
SCHEMBL3390892 0.79 DRD2 (0.40) MAPTDRD2DRD3DRD4MEN1
SCHEMBL3390526 0.75 DRD2 (0.42) DRD2DRD3DRD4
SCHEMBL6619493 0.74 DRD2 (0.46) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL3387755 0.73 DRD2 (0.43) MAPTDRD2DRD3DRD4MEN1
SCHEMBL6593135 0.73 DRD2 (0.42) DRD2DRD3DRD4HTR1A
SCHEMBL5222458 0.73 MAPT (0.37) MAPTDRD2DRD3DRD4PKM
SCHEMBL6788728 0.72 DRD2 (0.41) MAPTDRD2DRD3DRD4MEN1

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 claimed
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 MAPT 3185/4885DRD2 50/4885DRD3 56/4885
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists CHRM1, CHRM3, CHRM2 MAPT 3185/4885DRD2 50/4885DRD3 56/4885

“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.