SCHEMBL4870329

SCHEMBL4870329

CCN(CCCCN1CCCCCC1=O)C(C)Cc1cccc(S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
SOAT2 O75908 1/20 0.38
SOAT1 P35610 1/20 0.38
LMNA P02545 3/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
ACHE P22303 1/20 0.36
ADRA1B P35368 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CD274 Q9NZQ7 3/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RCE1 Q9Y256 1/20 0.35

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
SCHEMBL4873684 0.93 ADAMTS5 (0.41) L3MBTL1SOAT2SOAT1LMNAADAMTS5
SCHEMBL4873606 0.92 L3MBTL1 (0.37) L3MBTL1SOAT2SOAT1LMNAADAMTS5
SCHEMBL4875888 0.89 L3MBTL1 (0.48) L3MBTL1SOAT2SOAT1LMNAADAMTS5
SCHEMBL27595647 0.85 ADRA1B (0.36) L3MBTL1SOAT2SOAT1LMNAADAMTS5
SCHEMBL4873840 0.83 POLB (0.37) L3MBTL1SOAT2SOAT1ADAMTS5MEN1
SCHEMBL4875014 0.83 ALDH1A1 (0.39) L3MBTL1SOAT2SOAT1ADAMTS5MEN1
SCHEMBL4875603 0.83 POLB (0.37) L3MBTL1SOAT2SOAT1ADAMTS5MEN1
SCHEMBL4870539 0.82 KMT2A (0.36) L3MBTL1SOAT2SOAT1ADAMTS5MEN1
SCHEMBL4874158 0.82 CA2 (0.37) L3MBTL1SOAT2SOAT1ADAMTS5ACHE
SCHEMBL4876466 0.81 ADAMTS5 (0.39) L3MBTL1ADAMTS5MEN1KMT2AALDH1A1

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 10 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
CN-1430610-A Substituted 1-aminoalkyllactam compounds and their use as muscarinic receptor antagonists HOFFMANN LA ROCHE (CH) 2003-07-16 CN 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 2437/4885SOAT2 2253/4885SOAT1 2137/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 L3MBTL1 2339/4885SOAT2 2093/4885SOAT1 1799/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 L3MBTL1 2339/4885SOAT2 2093/4885SOAT1 1799/4885

“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.