SCHEMBL4872589

SCHEMBL4872589

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.34
CHRM2 P08172 8/20 0.34
NPSR1 Q6W5P4 2/20 0.33
CCR5 P51681 2/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
EDNRB P24530 2/20 0.32
EDNRA P25101 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
NAMPT P43490 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
SCHEMBL4872635 0.93 CHRM2 (0.39) CHRM5CHRM2NPSR1CCR5TP53
SCHEMBL4872570 0.93 CHRM2 (0.34) CHRM5CHRM2NPSR1CCR5TP53
SCHEMBL4873198 0.91 BMP1 (0.38) CHRM2NPSR1CCR5TP53HSD17B10
SCHEMBL4870423 0.91 NAMPT (0.34) CHRM2NPSR1CCR5TP53HSD17B10
SCHEMBL4872624 0.90 LMNA (0.38) CHRM2CCR5SMN1; SMN2ALDH1A1MAPK1
SCHEMBL4870537 0.90 CHRM2 (0.32) CHRM5CHRM2NPSR1CCR5TP53
SCHEMBL4871422 0.89 SCD5 (0.35) CHRM2CCR5HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL4872564 0.89 BMP1 (0.39) CHRM2HSD17B10SMN1; SMN2MAPK1HPGD
SCHEMBL4874261 0.89 CHRM2 (0.38) CHRM5CHRM2NPSR1TP53SMN1; SMN2
SCHEMBL4875178 0.89 CYP2D6 (0.34) CHRM5CHRM2NPSR1TP53HSD17B10

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 CHRM5 1/4885CHRM2 2/4885NPSR1 57/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CHRM5 1/4885CHRM2 2/4885NPSR1 42/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CHRM5 1/4885CHRM2 2/4885NPSR1 42/4885

“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.