SCHEMBL4873684

SCHEMBL4873684

CCN(CCCCN1CCCCCC1=O)C(C)Cc1ccc(S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SOAT2 O75908 1/20 0.38
SOAT1 P35610 1/20 0.38
ADRA1B P35368 2/20 0.38
LMNA P02545 1/20 0.37
RCE1 Q9Y256 1/20 0.37
ACHE P22303 1/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 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
SCHEMBL4870329 0.93 L3MBTL1 (0.40) ADAMTS5L3MBTL1SOAT2SOAT1ADRA1B
SCHEMBL4875888 0.92 L3MBTL1 (0.48) ADAMTS5L3MBTL1SOAT2SOAT1ADRA1B
SCHEMBL4875014 0.90 ALDH1A1 (0.39) ADAMTS5L3MBTL1SOAT2SOAT1POLB
SCHEMBL4873840 0.90 POLB (0.37) ADAMTS5L3MBTL1SOAT2SOAT1POLB
SCHEMBL4875603 0.90 POLB (0.37) ADAMTS5L3MBTL1SOAT2SOAT1POLB
SCHEMBL4874158 0.89 CA2 (0.37) ADAMTS5L3MBTL1SOAT2SOAT1ACHE
SCHEMBL4870539 0.89 KMT2A (0.36) ADAMTS5L3MBTL1SOAT2SOAT1POLB
SCHEMBL4876466 0.89 ADAMTS5 (0.39) ADAMTS5L3MBTL1POLBKMT2ATDP1
SCHEMBL27595647 0.88 ADRA1B (0.36) ADAMTS5L3MBTL1SOAT2SOAT1ADRA1B
SCHEMBL4875610 0.88 KMT2A (0.41) L3MBTL1POLBKMT2ATDP1KDM4E

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
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 ADAMTS5 1839/4885L3MBTL1 2437/4885SOAT2 2253/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ADAMTS5 2297/4885L3MBTL1 2339/4885SOAT2 2093/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ADAMTS5 2297/4885L3MBTL1 2339/4885SOAT2 2093/4885

“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.