SCHEMBL4870260

SCHEMBL4870260

CCCN(CCCCN1CCCN(S(=O)(=O)c2cn(C)cn2)CC1=O)C(C)Cc1cccc(S(=O)(=O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.32
LMNA P02545 2/20 0.32
PKM P14618 8/20 0.31
ATM Q13315 1/20 0.31
CYP2D6 P10635 1/20 0.31
PKLR P30613 3/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHRM2 P08172 2/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4874261 0.91 CHRM2 (0.38) CHRM5LMNAPKMPKLRCYP2C19
SCHEMBL4875178 0.89 CYP2D6 (0.34) CHRM5PKMCYP2D6PKLRNPSR1
SCHEMBL4865381 0.88 CHRM2 (0.32) CHRM5PKMALDH1A1NPSR1CHRM2
SCHEMBL4870559 0.87 ALDH1A1 (0.35) CHRM5LMNAPKMCYP2C19ALDH1A1
SCHEMBL4870350 0.87 LMNA (0.37) CHRM5LMNAPKMALDH1A1
SCHEMBL4872589 0.84 CHRM5 (0.34) CHRM5LMNAALDH1A1TSHRNPSR1
SCHEMBL4870427 0.83 TP53 (0.35) LMNAPKMALDH1A1
SCHEMBL4872570 0.82 CHRM2 (0.34) CHRM5ALDH1A1TSHRNPSR1CHRM2
SCHEMBL4870423 0.82 NAMPT (0.34) LMNAPKLRALDH1A1TSHRNPSR1
SCHEMBL4872635 0.82 CHRM2 (0.39) CHRM5LMNAPKMPKLRALDH1A1

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 CHRM5 1/4885LMNA 3315/4885PKM 2222/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CHRM5 1/4885LMNA 3391/4885PKM 1981/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CHRM5 1/4885LMNA 3391/4885PKM 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.