SCHEMBL4874261

SCHEMBL4874261

CCCN(CCCCN1CCCN(S(=O)(=O)c2ccccc2)CC1=O)C(C)Cc1cccc(S(=O)(=O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.38
CHRM5 P08912 2/20 0.37
PKM P14618 6/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
PKLR P30613 2/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 1/20 0.34
POLB P06746 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
GLRA3 O75311 1/20 0.33
GLRA1 P23415 1/20 0.33
GLRB P48167 1/20 0.33
CD4 P01730 1/20 0.33

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
SCHEMBL4875178 0.93 CYP2D6 (0.34) CHRM2CHRM5PKMPKLRNPSR1
SCHEMBL4865381 0.92 CHRM2 (0.32) CHRM2CHRM5PKMALDH1A1NPSR1
SCHEMBL4870350 0.92 LMNA (0.37) CHRM5PKMALDH1A1LMNAMAPT
SCHEMBL4870559 0.91 ALDH1A1 (0.35) CHRM2CHRM5PKMALDH1A1LMNA
SCHEMBL4870260 0.91 CHRM5 (0.32) CHRM2CHRM5PKMALDH1A1LMNA
SCHEMBL4872589 0.89 CHRM5 (0.34) CHRM2CHRM5ALDH1A1LMNATSHR
SCHEMBL4872635 0.88 CHRM2 (0.39) CHRM2CHRM5PKMALDH1A1LMNA
SCHEMBL4872570 0.86 CHRM2 (0.34) CHRM2CHRM5ALDH1A1TSHRNPSR1
SCHEMBL4873198 0.85 BMP1 (0.38) CHRM2PKMALDH1A1LMNATSHR
SCHEMBL4870423 0.84 NAMPT (0.34) CHRM2ALDH1A1LMNAPKLRTSHR

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 CHRM2 2/4885CHRM5 1/4885PKM 2222/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CHRM2 2/4885CHRM5 1/4885PKM 1981/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CHRM2 2/4885CHRM5 1/4885PKM 1981/4885

“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.