SCHEMBL3385455

SCHEMBL3385455

CCCNC(=O)N1CCC(CN(CC)C2CCc3ccc(NC(=O)c4ccc(F)cc4)cc3C2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.51
CYP2C19 P33261 2/20 0.47
NAMPT P43490 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1F P30939 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL6344114 0.92 MCHR1 (0.44) MCHR1NAMPTITGB3ITGA2B
SCHEMBL6337604 0.91 MCHR1 (0.54) MCHR1ITGB3ITGA2B
SCHEMBL6335995 0.91 MCHR1 (0.52) MCHR1NAMPTITGB3ITGA2B
SCHEMBL3392015 0.90 MCHR1 (0.42) MCHR1NAMPTNPC1RAB9AITGB3
SCHEMBL6334433 0.90 ACKR3 (0.41) MCHR1CYP2C19NAMPTNPC1TP53
SCHEMBL3385450 0.90 MCHR1 (0.51) MCHR1NAMPTNPC1TP53NFKB1
SCHEMBL6335268 0.89 TMPRSS2 (0.43) MCHR1NAMPTNPC1RAB9AKMT2A
SCHEMBL3387777 0.86 MCHR1 (0.38) MCHR1CYP2C19NAMPTHTR1AKMT2A
SCHEMBL6342616 0.86 CYP2C19 (0.42) MCHR1CYP2C19TP53KMT2AMEN1
SCHEMBL6336702 0.82 TPSAB1 (0.38) MCHR1KMT2AMEN1

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

“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.