SCHEMBL3387777

SCHEMBL3387777

CCCNC(=O)N1CCC(CN(CC)C2CCc3ccc(NC(=O)C(F)(F)F)cc3C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.38
NAMPT P43490 2/20 0.38
CYP2C19 P33261 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP2C9 P11712 1/20 0.37
DRD2 P14416 4/20 0.36
DRD3 P35462 4/20 0.36
DRD4 P21917 2/20 0.36
HTR1A P08908 1/20 0.36
ADRB2 P07550 1/20 0.36
CYP2D6 P10635 1/20 0.36
CASP1 P29466 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3387775 0.89 MCHR1 (0.37) MCHR1CYP2C9DRD2DRD3DRD4
SCHEMBL3385455 0.86 MCHR1 (0.51) MCHR1NAMPTCYP2C19MEN1KMT2A
SCHEMBL3391623 0.86 NPC1 (0.51) MAPT
SCHEMBL6334433 0.84 ACKR3 (0.41) MCHR1NAMPTCYP2C19MEN1KMT2A
SCHEMBL6344114 0.84 MCHR1 (0.44) MCHR1NAMPT
SCHEMBL6336702 0.84 TPSAB1 (0.38) MCHR1MEN1KMT2A
SCHEMBL6346846 0.84 TGFBR1 (0.42) CYP2C19CYP2C9DRD2DRD3CYP2D6
SCHEMBL3391741 0.84 DRD2 (0.44) MCHR1NAMPTCYP2C19MEN1KMT2A
SCHEMBL6335995 0.83 MCHR1 (0.52) MCHR1NAMPTDRD2DRD3DRD4
SCHEMBL6337604 0.83 MCHR1 (0.54) MCHR1DRD2DRD3

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 7 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
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 MCHR1 61/4885NAMPT 2528/4885CYP2C19 827/4885
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists CHRM1, CHRM3, CHRM2 MCHR1 61/4885NAMPT 2528/4885CYP2C19 827/4885

“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.