SCHEMBL4872746

SCHEMBL4872746

CCN(CCCCN1CCNCCC1=O)C(C)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.41
KCNJ1 P48048 5/20 0.41
ADRB1 P08588 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
DPP4 P27487 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL4865212 0.88 SIGMAR1 (0.40) KCNH2KCNJ1SIGMAR1ALDH1A1
SCHEMBL4875937 0.87 CYP3A4 (0.33) KCNH2
SCHEMBL4875193 0.86 CYP2D6 (0.33) KCNH2ALDH1A1
SCHEMBL4876477 0.85 MEN1 (0.33) KCNH2SIGMAR1ALDH1A1
SCHEMBL4871419 0.83 MEN1 (0.31) KCNH2MAPT
SCHEMBL4868909 0.83 GRIN1 (0.35) KCNH2ADRB1KDM4EALDH1A1
SCHEMBL4873216 0.83 ACACB (0.39) ALDH1A1
SCHEMBL4874319 0.82 CYP3A4 (0.43) KCNH2ALDH1A1MAPT
SCHEMBL4874468 0.81 TP53 (0.34) KCNH2
SCHEMBL4871434 0.81 ACACB (0.38) KCNH2KDM4EALDH1A1

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 KCNH2 574/4885KCNJ1 1672/4885ADRB1 26/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KCNH2 542/4885KCNJ1 1463/4885ADRB1 20/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KCNH2 542/4885KCNJ1 1463/4885ADRB1 20/4885

“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.