SCHEMBL4872333

SCHEMBL4872333

CCCN(CCCCN1CCCCCC1=O)C(C)Cc1ccc(OS(=O)(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 2/20 0.37
SOAT1 P35610 2/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
PKM P14618 1/20 0.32
HSD17B2 P37059 1/20 0.31
ADRA1B P35368 1/20 0.31
LMNA P02545 2/20 0.30
NR3C1 P04150 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
SCHEMBL4870299 0.91 SOAT2 (0.40) SOAT2SOAT1MEN1KMT2AADAMTS5
SCHEMBL6171664 0.86 SOAT2 (0.36) SOAT2SOAT1MEN1KMT2AADAMTS5
SCHEMBL4875897 0.84 SOAT2 (0.38) SOAT2SOAT1MEN1KMT2AADAMTS5
SCHEMBL4870498 0.84 SOAT2 (0.41) SOAT2SOAT1MEN1KMT2AADAMTS5
SCHEMBL4872667 0.84 CYP1A1 (0.35) SOAT2SOAT1MEN1KMT2A
SCHEMBL4873141 0.84 CYP1A1 (0.41) MEN1KMT2APKMLMNA
SCHEMBL4871325 0.83 KMT2A (0.38) SOAT2SOAT1MEN1KMT2AL3MBTL1
SCHEMBL4873593 0.83 ADAMTS5 (0.40) SOAT2SOAT1MEN1KMT2AADAMTS5
SCHEMBL4872453 0.82 SOAT2 (0.38) SOAT2SOAT1MEN1KMT2AL3MBTL1
SCHEMBL4876523 0.82 KMT2A (0.38) SOAT2SOAT1MEN1KMT2AL3MBTL1

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 SOAT2 2253/4885SOAT1 2137/4885MEN1 1954/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SOAT2 2093/4885SOAT1 1799/4885MEN1 1892/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SOAT2 2093/4885SOAT1 1799/4885MEN1 1892/4885

“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.