SCHEMBL4870423

SCHEMBL4870423

CCCN(CCCCN1CCCN(C(=O)c2ccncc2)CC1=O)C(C)Cc1cccc(S(=O)(=O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.34
CHRM2 P08172 6/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPT P10636 2/20 0.34
STAT3 P40763 1/20 0.34
RAB9A P51151 1/20 0.34
PLA2G2A P14555 2/20 0.33
CCR5 P51681 2/20 0.33
PKLR P30613 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 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 0.95 CHRM2 (0.39) CHRM2SMN1; SMN2LMNAHTTRECQL
SCHEMBL4870472 0.94 KDM4E (0.39) NAMPTCHRM2SMN1; SMN2LMNAHTT
SCHEMBL4875555 0.92 CHRM2 (0.33) NAMPTCHRM2SMN1; SMN2LMNAHTT
SCHEMBL4872564 0.92 BMP1 (0.39) CHRM2SMN1; SMN2LMNAHTTRECQL
SCHEMBL4870537 0.91 CHRM2 (0.32) NAMPTCHRM2SMN1; SMN2ALDH1A1MAPT
SCHEMBL4872589 0.91 CHRM5 (0.34) NAMPTCHRM2SMN1; SMN2LMNAHTT
SCHEMBL4872624 0.90 LMNA (0.38) CHRM2SMN1; SMN2LMNAALDH1A1RAB9A
SCHEMBL4873198 0.90 BMP1 (0.38) CHRM2SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL4877244 0.90 BMP1 (0.37) CHRM2LMNAALDH1A1BMP1
SCHEMBL4866705 0.90 L3MBTL1 (0.42) CHRM2SMN1; SMN2LMNAALDH1A1MAPT

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 NAMPT 1043/4885CHRM2 2/4885SMN1; SMN2 3854/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 NAMPT 1086/4885CHRM2 2/4885SMN1; SMN2 3754/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 NAMPT 1086/4885CHRM2 2/4885SMN1; SMN2 3754/4885

“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.