SCHEMBL4873285

SCHEMBL4873285

CCCN(CCCCN1CCCCC1=O)C(C)Cc1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.38
NR3C1 P04150 2/20 0.36
GRIA2 P42262 1/20 0.36
RAB9A P51151 1/20 0.36
BRD4 O60885 1/20 0.35
SOAT2 O75908 1/20 0.35
SOAT1 P35610 1/20 0.35
LMNA P02545 1/20 0.35
OPRM1 P35372 1/20 0.35
HTR7 P34969 2/20 0.35
AR P10275 1/20 0.35
HTR1A P08908 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
OPRK1 P41145 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
SCHEMBL4871569 0.84 RAB9A (0.41) RAB9ASOAT2SOAT1LMNAKMT2A
SCHEMBL4870291 0.84 L3MBTL1 (0.38) RAB9ASOAT2SOAT1LMNAKMT2A
SCHEMBL4876330 0.82 POLB (0.37) RAB9ASOAT2SOAT1KMT2A
SCHEMBL4875623 0.82 HTR2A (0.39) LMNAHTR7KMT2AOPRK1
SCHEMBL4866722 0.82 POLB (0.36) RAB9ASOAT2SOAT1KMT2A
SCHEMBL6094196 0.81 RAB9A (0.34) RAB9ASOAT2SOAT1KMT2A
SCHEMBL4873606 0.80 L3MBTL1 (0.37) RAB9ASOAT2SOAT1LMNAKMT2A
SCHEMBL4866709 0.80 PARP1 (0.43) PARP1RAB9ASOAT2SOAT1KMT2A
SCHEMBL4875539 0.79 ADAMTS5 (0.40) RAB9ALMNAKMT2A
SCHEMBL4873305 0.79 PARP1 (0.40) PARP1NR3C1GRIA2RAB9ABRD4

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 PARP1 4430/4885NR3C1 273/4885GRIA2 677/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 PARP1 4138/4885NR3C1 455/4885GRIA2 659/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 PARP1 4138/4885NR3C1 455/4885GRIA2 659/4885

“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.