SCHEMBL4866705

SCHEMBL4866705

CCCN(CCCCN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1=O)C(C)Cc1cccc(S(=O)(=O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
KMT2A Q03164 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
RAB9A P51151 3/20 0.33
BMP1 P13497 2/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 2/20 0.33
CHRM2 P08172 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 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 0.92 CHRM2 (0.39) ALDH1A1SMN1; SMN2RAB9ABMP1CHRM2
SCHEMBL4877244 0.90 BMP1 (0.37) ALDH1A1CA12CA1CA2CA7
SCHEMBL4870423 0.90 NAMPT (0.34) ALDH1A1SMN1; SMN2RAB9ABMP1CHRM2
SCHEMBL4870472 0.89 KDM4E (0.39) ALDH1A1SMN1; SMN2KMT2ABMP1CHRM2
SCHEMBL4872589 0.88 CHRM5 (0.34) ALDH1A1SMN1; SMN2CHRM2GAAMAPT
SCHEMBL4875555 0.88 CHRM2 (0.33) ALDH1A1SMN1; SMN2KMT2ARAB9AMEN1
SCHEMBL4873351 0.88 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2KMT2ABMP1MEN1
SCHEMBL4872564 0.88 BMP1 (0.39) SMN1; SMN2BMP1CHRM2MAPK1LMNA
SCHEMBL4870350 0.88 LMNA (0.37) ALDH1A1KMT2ABMP1MEN1MAPT
SCHEMBL4873198 0.88 BMP1 (0.38) RXFP1ALDH1A1SMN1; SMN2KMT2ARAB9A

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 L3MBTL1 2437/4885RXFP1 103/4885ALDH1A1 2504/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 L3MBTL1 2339/4885RXFP1 98/4885ALDH1A1 1684/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 L3MBTL1 2339/4885RXFP1 98/4885ALDH1A1 1684/4885

“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.