SCHEMBL6338274

SCHEMBL6338274

COc1ccc2c(c1)CCC(C(CCN)CC1CCN(S(=O)(=O)c3ccccc3)CC1)C2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
HSD11B1 P28845 1/20 0.42
CCR6 P51684 1/20 0.42
CHRM5 P08912 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
HTR1A P08908 1/20 0.40
AKR1C3 P42330 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MMP1 P03956 1/20 0.40
MMP13 P45452 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6334436 0.96 SIGMAR1 (0.44) SIGMAR1ALDH1A1TP53PKMHSD11B1
SCHEMBL6344101 0.89 CA1 (0.43) SIGMAR1CA1CA2ACHEHTR1A
SCHEMBL6338503 0.89 HTR2A (0.41) SIGMAR1ALDH1A1CA1CA2ACHE
SCHEMBL6346802 0.86 CA1 (0.40) SIGMAR1ALDH1A1CA1CA2ACHE
SCHEMBL6342896 0.85 HTR6 (0.42) SIGMAR1ALDH1A1CA1CA2ACHE
SCHEMBL6345240 0.85 CA1 (0.43) SIGMAR1CA1CA2ACHEHTR1A
SCHEMBL6335390 0.85 CA1 (0.43) SIGMAR1CA1CA2ACHEHTR1A
SCHEMBL6337134 0.83 MMP1 (0.43) TP53POLBMMP1
SCHEMBL6665870 0.80 ALDH1A1 (0.40) ALDH1A1PKMCA1CA2KDM4E
SCHEMBL6337990 0.80 MMP1 (0.43) TP53POLBMMP1

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 6 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
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 SIGMAR1 29/4885ALDH1A1 1115/4885TP53 3343/4885
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists CHRM1, CHRM3, CHRM2 SIGMAR1 29/4885ALDH1A1 1115/4885TP53 3343/4885

“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.