SCHEMBL4868934

SCHEMBL4868934

CCN(CCCCN1CCCN(S(=O)(=O)c2c[nH]c(C)n2)CC1=O)C(C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4871355 0.89 NMT1 (0.30)
SCHEMBL4875520 0.85 TP53 (0.35) MEN1NPC1KMT2A
SCHEMBL4868937 0.83 MEN1 (0.33) MEN1NPC1KMT2A
SCHEMBL4875410 0.78 MEN1 (0.41) MEN1NPC1KMT2A
SCHEMBL4875568 0.77 MEN1 (0.41) MEN1NPC1KMT2A
SCHEMBL4870323 0.75 CYP2D6 (0.35) MEN1KMT2A
SCHEMBL4875011 0.75 POLB (0.35)
SCHEMBL4875299 0.73 KCNH2 (0.36)
SCHEMBL4876477 0.73 MEN1 (0.33) MEN1NPC1KMT2A
SCHEMBL4875210 0.73 ATM (0.36)

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 MEN1 1954/4885NPC1 1987/4885KMT2A 1941/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MEN1 1892/4885NPC1 1483/4885KMT2A 2014/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MEN1 1892/4885NPC1 1483/4885KMT2A 2014/4885

“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.