SCHEMBL4870472

SCHEMBL4870472

CCCN(CCCCN1CCCN(C(=O)c2cccnc2)CC1=O)C(C)Cc1cccc(S(=O)(=O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NAMPT P43490 5/20 0.39
BMP1 P13497 2/20 0.34
CHRM2 P08172 2/20 0.33
GFER P55789 1/20 0.33
MMP13 P45452 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 2/20 0.32
RECQL P46063 2/20 0.32
SFRP1 Q8N474 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4870423 0.94 NAMPT (0.34) NAMPTBMP1CHRM2ALDH1A1GAA
SCHEMBL4872635 0.93 CHRM2 (0.39) BMP1CHRM2ALDH1A1GAAMAPT
SCHEMBL4875555 0.90 CHRM2 (0.33) NAMPTCHRM2ALDH1A1GAAMAPT
SCHEMBL4877244 0.89 BMP1 (0.37) BMP1CHRM2ALDH1A1LMNA
SCHEMBL4870537 0.89 CHRM2 (0.32) NAMPTCHRM2ALDH1A1GAAMAPT
SCHEMBL4872589 0.89 CHRM5 (0.34) NAMPTCHRM2ALDH1A1GAAMAPT
SCHEMBL4866705 0.89 L3MBTL1 (0.42) KDM4EBMP1CHRM2ALDH1A1GAA
SCHEMBL4872564 0.88 BMP1 (0.39) BMP1CHRM2MAPK1HPGDHTT
SCHEMBL4873198 0.88 BMP1 (0.38) TDP1BMP1CHRM2ALDH1A1MAPT
SCHEMBL4873351 0.87 ALDH1A1 (0.35) BMP1CHRM2ALDH1A1MAPTTSHR

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 KDM4E 2261/4885TDP1 4153/4885NAMPT 1043/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KDM4E 2601/4885TDP1 3835/4885NAMPT 1086/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KDM4E 2601/4885TDP1 3835/4885NAMPT 1086/4885

“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.