SCHEMBL4870349

SCHEMBL4870349

CCN(CCCCN1CCN(S(C)(=O)=O)CCC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
LMNA P02545 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
PKM P14618 6/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CCR5 P51681 2/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4866763 0.92 LMNA (0.37) CYP2D6LMNASMN1; SMN2PKMALDH1A1
SCHEMBL4875121 0.91 CYP2D6 (0.36) CYP2D6LMNASMN1; SMN2PKMALDH1A1
SCHEMBL4865392 0.89 KDM2B (0.35) CYP2D6LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4873840 0.87 POLB (0.37) CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL4875603 0.87 POLB (0.37) CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL4872326 0.86 CYP3A4 (0.34) CYP2D6LMNASMN1; SMN2PKMALDH1A1
SCHEMBL4875247 0.86 CYP3A4 (0.34) CYP2D6LMNAALDH1A1CCR5KCNH2
SCHEMBL27577788 0.86 CCR5 (0.41) CYP2D6CCR5KCNH2
SCHEMBL4870323 0.86 CYP2D6 (0.35) CYP2D6LMNAMEN1KMT2ACCR5
SCHEMBL4877377 0.85 KMT2A (0.34) CYP2D6LMNASMN1; SMN2PKMALDH1A1

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 CYP2D6 194/4885LMNA 3315/4885SMN1; SMN2 3854/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CYP2D6 129/4885LMNA 3391/4885SMN1; SMN2 3754/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CYP2D6 129/4885LMNA 3391/4885SMN1; SMN2 3754/4885

“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.