SCHEMBL4866706

SCHEMBL4866706

CCN(CCCCN1CCN(C(=O)c2cccnc2)CCC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
FABP6 P51161 1/20 0.35
GAA P10253 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 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
SCHEMBL4873591 0.91 LMNA (0.43) KMT2ALMNAALDH1A1
SCHEMBL4875247 0.85 CYP3A4 (0.34) CYP3A4LMNAALDH1A1TSHR
SCHEMBL4872326 0.85 CYP3A4 (0.34) CYP3A4LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL4875620 0.85 PLA2G2A (0.34) CYP3A4LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL4876887 0.84 SIRT2 (0.36) CYP3A4LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL4870213 0.84 CYP3A4 (0.33) CYP3A4LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL4877377 0.84 KMT2A (0.34) KMT2ACYP3A4L3MBTL1LMNAALDH1A1
SCHEMBL4876118 0.84 ALDH1A1 (0.48) MAPK1KMT2ALMNAALDH1A1TSHR
SCHEMBL4870443 0.84 MAPK1 (0.37) MAPK1KMT2ACYP3A4L3MBTL1LMNA
SCHEMBL4876913 0.83 CHRM1 (0.36) MAPK1KMT2ACYP3A4LMNAALDH1A1

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 MAPK1 2543/4885KMT2A 1941/4885CYP3A4 283/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MAPK1 2153/4885KMT2A 2014/4885CYP3A4 197/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MAPK1 2153/4885KMT2A 2014/4885CYP3A4 197/4885

“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.