SCHEMBL4875996

SCHEMBL4875996

CCCN(CCCCN1CCN(C)CC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
PLA2G2A P14555 1/20 0.31
PTGS1 P23219 1/20 0.31
KCNJ1 P48048 1/20 0.30
KCNH2 Q12809 1/20 0.30
CCR2 P41597 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DRD3 P35462 1/20 0.30
NMT1 P30419 1/20 0.30

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
SCHEMBL6171303 1.00 PTGS2 (0.35) PTGS2PRMT5WDR77SIRT2HTR2A
SCHEMBL4863663 0.94 PTGS2 (0.34) PTGS2PRMT5WDR77SIRT2HTR2A
SCHEMBL14194496 0.94 PTGS2 (0.34) PTGS2PRMT5WDR77SIRT2HTR2A
SCHEMBL4874227 0.91 NPC1 (0.34) PTGS2PRMT5WDR77SIRT2HTR2A
SCHEMBL4876330 0.87 POLB (0.37) PTGS2
SCHEMBL4870420 0.87 PTGS2 (0.33) PTGS2CCR2
SCHEMBL4866722 0.86 POLB (0.36)
SCHEMBL4870396 0.85 SIRT2 (0.33) PTGS2SIRT2CCR2
SCHEMBL4872685 0.85 PTGS2 (0.33) PTGS2PLA2G2APTGS1CCR2
SCHEMBL6982001 0.85 ADAMTS5 (0.34) PTGS2PLA2G2APTGS1CCR2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361648-B2 Heterocyclylakylamines as muscarinic receptor antagonists ROCHE PALO ALTO LLC (US) 2008-04-22 US disclosed
US-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists ROCHE PALO ALTO LLC 2006-12-21 US disclosed
US-7094778-B2 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-08-22 US disclosed
EP-1289965-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-10-26 EP disclosed
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists DVORAK CHARLES ALOIS (US) 2004-05-06 US disclosed
US-6667301-B2 Therapy for muscular disorders, urogenital disorders, gastrointestinal disorders, respiratory system disorders SYNTEX (U.S.A.) LLC 2003-12-23 US disclosed
EP-1289965-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP disclosed
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 US disclosed
WO-2001090081-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 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 (3 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-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM3 PTGS2 3335/4885PRMT5 131/4885WDR77 1129/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 PTGS2 3134/4885PRMT5 209/4885WDR77 1458/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 PTGS2 3134/4885PRMT5 209/4885WDR77 1458/4885

“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.