SCHEMBL4866763

SCHEMBL4866763

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
PKM P14618 5/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
CYP2D6 P10635 2/20 0.35
MAPT P10636 2/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ADRB2 P07550 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
TSHR P16473 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL4870349 0.92 CYP2D6 (0.40) LMNASMN1; SMN2PKMALDH1A1GAA
SCHEMBL4865392 0.86 KDM2B (0.35) LMNASMN1; SMN2CYP2D6MEN1KMT2A
SCHEMBL4875121 0.85 CYP2D6 (0.36) LMNASMN1; SMN2PKMALDH1A1GAA
SCHEMBL4873840 0.85 POLB (0.37) ALDH1A1CYP2D6MEN1KMT2ATSHR
SCHEMBL4875603 0.85 POLB (0.37) ALDH1A1CYP2D6MEN1KMT2ATSHR
SCHEMBL4877377 0.85 KMT2A (0.34) LMNASMN1; SMN2PKMALDH1A1CYP2D6
SCHEMBL4876887 0.85 SIRT2 (0.36) LMNASMN1; SMN2ALDH1A1CYP2D6ADRB2
SCHEMBL4872326 0.84 CYP3A4 (0.34) LMNASMN1; SMN2PKMALDH1A1CYP2D6
SCHEMBL4875247 0.84 CYP3A4 (0.34) LMNAALDH1A1CYP2D6ADRB2CYP3A4
SCHEMBL4870213 0.83 CYP3A4 (0.33) LMNASMN1; SMN2ALDH1A1CYP2D6ADRB2

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 7 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
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 US 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 LMNA 3315/4885SMN1; SMN2 3854/4885PKM 2222/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 LMNA 3391/4885SMN1; SMN2 3754/4885PKM 1981/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 LMNA 3391/4885SMN1; SMN2 3754/4885PKM 1981/4885

“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.