SCHEMBL4865381

SCHEMBL4865381

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 12/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32
CHRM5 P08912 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PKM P14618 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
SCHEMBL4875178 0.93 CYP2D6 (0.34) CHRM2CHRM5TP53NPSR1HSD17B10
SCHEMBL4874261 0.92 CHRM2 (0.38) CHRM2ALDH1A1POLBCHRM5TP53
SCHEMBL4870260 0.88 CHRM5 (0.32) CHRM2ALDH1A1CHRM5NPSR1PKM
SCHEMBL4870559 0.88 ALDH1A1 (0.35) CHRM2ALDH1A1MAPK1CHRM5KMT2A
SCHEMBL4870350 0.88 LMNA (0.37) ALDH1A1POLBCHRM5KMT2AMEN1
SCHEMBL4872589 0.88 CHRM5 (0.34) CHRM2ALDH1A1MAPK1CHRM5TP53
SCHEMBL4872570 0.86 CHRM2 (0.34) CHRM2ALDH1A1MAPK1CHRM5TP53
SCHEMBL4872635 0.85 CHRM2 (0.39) CHRM2ALDH1A1MAPK1CHRM5TP53
SCHEMBL4873198 0.85 BMP1 (0.38) CHRM2ALDH1A1MAPK1POLBKMT2A
SCHEMBL4870423 0.84 NAMPT (0.34) CHRM2ALDH1A1MAPK1TP53NPSR1

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 CHRM2 2/4885ALDH1A1 2504/4885MAPK1 2543/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CHRM2 2/4885ALDH1A1 1684/4885MAPK1 2153/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CHRM2 2/4885ALDH1A1 1684/4885MAPK1 2153/4885

“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.