SCHEMBL4871432

SCHEMBL4871432

COc1ccc(CC(C)N(CCN2CCCCC2=O)CC(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 1/20 0.38
AOC3 Q16853 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL4875458 0.90 CYP3A4 (0.43) SMN1; SMN2KMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL4875572 0.89 CYP3A4 (0.43) SMN1; SMN2KMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL4872513 0.88 KMT2A (0.45) SMN1; SMN2KMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL4876919 0.84 CYP3A4 (0.46) SMN1; SMN2KMT2AALDH1A1L3MBTL1MEN1
SCHEMBL4863231 0.83 CYP3A4 (0.48) SMN1; SMN2KMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL4876120 0.82 CYP3A4 (0.47) SMN1; SMN2KMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL4873927 0.82 CYP3A4 (0.47) SMN1; SMN2KMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL4876123 0.81 ACACB (0.41) SMN1; SMN2KMT2AALDH1A1L3MBTL1MEN1
SCHEMBL4875374 0.81 MTNR1A (0.45) SMN1; SMN2KMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL4872747 0.79 MAPT (0.39) SMN1; SMN2KMT2AALDH1A1L3MBTL1MEN1

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 SMN1; SMN2 3854/4885KMT2A 1941/4885MTNR1A 134/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SMN1; SMN2 3754/4885KMT2A 2014/4885MTNR1A 80/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SMN1; SMN2 3754/4885KMT2A 2014/4885MTNR1A 80/4885

“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.