SCHEMBL4874459

SCHEMBL4874459

CCCN(CCCCN1CCN(C(=O)C(N)C(C)C)CCC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
DPP4 P27487 4/20 0.33
DPP7 Q9UHL4 4/20 0.33
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
PLA2G2A P14555 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MC4R P32245 1/20 0.30
ADAMTS5 Q9UNA0 1/20 0.30
PTGS2 P35354 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
SCHEMBL4875582 0.89 CCR5 (0.36) SIRT2SIRT1PLA2G2AALDH1A1ADAMTS5
SCHEMBL7083990 0.89 ADAMTS5 (0.33) SIRT2SIRT1PLA2G2AALDH1A1ADAMTS5
SCHEMBL4875551 0.87 CHRM2 (0.36) ALDH1A1
SCHEMBL4876417 0.87 GPR119 (0.39) HRH2HRH1
SCHEMBL4872326 0.87 CYP3A4 (0.34) ALDH1A1ADAMTS5
SCHEMBL4873761 0.85 RORC (0.34) PLA2G2AALDH1A1ADAMTS5PTGS2
SCHEMBL4872361 0.85 GPR119 (0.33)
SCHEMBL4870335 0.85 GPR119 (0.36) HRH2HRH1
SCHEMBL4870274 0.85 GPR119 (0.36) HRH2HRH1PLA2G2A
SCHEMBL4874334 0.85 GPR119 (0.44)

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 HRH2 118/4885HRH1 136/4885DPP4 1598/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 HRH2 87/4885HRH1 106/4885DPP4 1485/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 HRH2 87/4885HRH1 106/4885DPP4 1485/4885

“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.