SCHEMBL6337990

SCHEMBL6337990

COc1ccc2c(c1)CC(C(CCN)CC1CCN(S(=O)(=O)c3cn(C)cn3)CC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
LMNA P02545 3/20 0.42
TP53 P04637 1/20 0.39
PIK3CG P48736 2/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL6337134 0.97 MMP1 (0.43) MMP1MMP2MMP3MMP7MMP9
SCHEMBL6345240 0.84 CA1 (0.43)
SCHEMBL6335390 0.84 CA1 (0.43)
SCHEMBL6334436 0.83 SIGMAR1 (0.44) MMP1LMNATP53POLB
SCHEMBL6342896 0.81 HTR6 (0.42)
SCHEMBL6344101 0.81 CA1 (0.43)
SCHEMBL6338274 0.80 SIGMAR1 (0.44) MMP1TP53POLB
SCHEMBL6346802 0.78 CA1 (0.40) MAPT
SCHEMBL6336495 0.78 ALDH1A1 (0.40) LMNA
SCHEMBL6338503 0.78 HTR2A (0.41)

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 4 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
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

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 MMP1 3591/4885MMP2 4147/4885MMP3 4052/4885
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists CHRM1, CHRM3, CHRM2 MMP1 3591/4885MMP2 4147/4885MMP3 4052/4885

“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.