SCHEMBL6094192

SCHEMBL6094192

CCCN(CCCCN1CCCCCC1=O)C(C)Cc1ccc(S(C)(=O)=O)c(C(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
PDK2 Q15119 2/20 0.35
SOAT2 O75908 1/20 0.32
SOAT1 P35610 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
CNR2 P34972 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 2/20 0.31
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
POLB P06746 1/20 0.31
ADRA1D P25100 1/20 0.31
USP2 O75604 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 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
SCHEMBL6094196 0.88 RAB9A (0.34) RAB9ASOAT2SOAT1KMT2AMEN1
SCHEMBL4866722 0.82 POLB (0.36) RAB9ASOAT2SOAT1KMT2AMEN1
SCHEMBL4876330 0.81 POLB (0.37) RAB9ASOAT2SOAT1KMT2AMEN1
SCHEMBL4875098 0.80 CYP2D6 (0.36) RAB9APDK2KMT2AMEN1SMN1; SMN2
SCHEMBL4874000 0.80 KMT2A (0.37) RAB9AKMT2AMEN1CYP2D6ALDH1A1
SCHEMBL4873890 0.78 SMN1; SMN2 (0.46) RAB9AKMT2AMEN1CNR2SMN1; SMN2
SCHEMBL4873903 0.78 SOAT2 (0.31) PDK2SOAT2SOAT1
SCHEMBL4873285 0.78 PARP1 (0.38) RAB9ASOAT2SOAT1KMT2APARP1
SCHEMBL4866652 0.77 MEN1 (0.41) RAB9ASOAT2SOAT1KMT2AMEN1
SCHEMBL4871325 0.77 KMT2A (0.38) RAB9ASOAT2SOAT1KMT2AMEN1

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-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 (2 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-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 RAB9A 2725/4885PDK2 3827/4885SOAT2 2093/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 RAB9A 2725/4885PDK2 3827/4885SOAT2 2093/4885

“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.