SCHEMBL3387708

SCHEMBL3387708

CS(=O)(=O)N1CCC(CC(CCN)C2CCc3ccc([N+](=O)[O-])cc3C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPY1R P25929 1/20 0.36
NPY5R Q15761 1/20 0.36
RECQL P46063 1/20 0.35
GRIN2B Q13224 2/20 0.34
AKR1C3 P42330 1/20 0.34
MCHR1 Q99705 1/20 0.34
DRD2 P14416 1/20 0.34
ACHE P22303 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL6337078 0.85 DPP4 (0.37) LMNAALDH1A1AKR1C3L3MBTL1DPP4
SCHEMBL6345240 0.84 CA1 (0.43) KMT2ADRD2ACHEHTT
SCHEMBL6335390 0.84 CA1 (0.43) KMT2ADRD2ACHEHTT
SCHEMBL3390014 0.83 PNMT (0.42) GRIN2B
SCHEMBL6336495 0.83 ALDH1A1 (0.40) LMNAALDH1A1KMT2ADPP4DPP8
SCHEMBL6344101 0.80 CA1 (0.43) KMT2ADRD2ACHEHTT
SCHEMBL6337135 0.80 MCHR1 (0.33) ALDH1A1SMN1; SMN2NPY5RMCHR1DPP4
SCHEMBL6334414 0.80 CA7 (0.38) LMNAKMT2ADPP4DPP8DPP9
SCHEMBL6634305 0.80 DPP4 (0.32) DPP4DPP8DPP9DPP7
SCHEMBL6665870 0.79 ALDH1A1 (0.40) LMNAALDH1A1KMT2ADPP4DPP8

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 LMNA 3681/4885ALDH1A1 1115/4885KMT2A 1886/4885
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists CHRM1, CHRM3, CHRM2 LMNA 3681/4885ALDH1A1 1115/4885KMT2A 1886/4885

“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.