SCHEMBL4866757

SCHEMBL4866757

CCCN(CCCCN1CCCN(C(=O)c2ccno2)CC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.36
DPP4 P27487 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CHRM2 P08172 1/20 0.31
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 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
SCHEMBL14194499 0.89 PLA2G2A (0.35) PLA2G2AADAMTS5CHRM2MMP1MMP3
SCHEMBL4871384 0.87 ALDH1A1 (0.43) PLA2G2A
SCHEMBL6982001 0.87 ADAMTS5 (0.34) PLA2G2AADAMTS5HRH3
SCHEMBL4872685 0.87 PTGS2 (0.33) PLA2G2AADAMTS5HRH3
SCHEMBL4866765 0.86 LMNA (0.38) PLA2G2AADAMTS5HRH3
SCHEMBL4874189 0.86 PTGS2 (0.33) PLA2G2AADAMTS5HRH3
SCHEMBL4870443 0.85 MAPK1 (0.37) PLA2G2ADPP4HRH3
SCHEMBL4870404 0.84 EPHX2 (0.34) PLA2G2AADAMTS5HRH3
SCHEMBL4866661 0.84 GPR119 (0.33) PLA2G2AADAMTS5HRH3
SCHEMBL4875263 0.84 PLA2G2A (0.34) PLA2G2AADAMTS5HRH3

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
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
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 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 (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 PLA2G2A 2510/4885DPP4 1598/4885DPP7 1567/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 PLA2G2A 2156/4885DPP4 1485/4885DPP7 1549/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 PLA2G2A 2156/4885DPP4 1485/4885DPP7 1549/4885

“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.