SCHEMBL4868909

SCHEMBL4868909

CCN(CCCCN1CCNCCC1=O)C(C)Cc1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
HTR2A P28223 3/20 0.33
DRD3 P35462 3/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
CHRM3 P20309 2/20 0.33
SLC6A4 P31645 2/20 0.33
KCNH2 Q12809 2/20 0.33
CACNA1F O60840 1/20 0.33
CHRM2 P08172 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4875193 0.89 CYP2D6 (0.33) HTR2ADRD3ADRA2BADRA2CCHRM3
SCHEMBL4875937 0.86 CYP3A4 (0.33) HTR2ADRD3ADRA2BADRA2CCHRM3
SCHEMBL4876477 0.84 MEN1 (0.33) HTR2ADRD3ADRA2BADRA2CCHRM3
SCHEMBL4871419 0.84 MEN1 (0.31) HTR2ADRD3ADRA2BADRA2CCHRM3
SCHEMBL4874319 0.83 CYP3A4 (0.43) HTR2ADRD3ADRA2BADRA2CCHRM3
SCHEMBL14194497 0.83 SIRT2 (0.33) HTR2ADRD3LMNASMN1; SMN2DRD2
SCHEMBL4871441 0.83 SIRT2 (0.33) HTR2ADRD3LMNASMN1; SMN2DRD2
SCHEMBL4872746 0.83 KCNH2 (0.41) KCNH2ALDH1A1KDM4EADRB1
Hydrochloric Acid SCHEMBL4872588 0.82 SIRT2 (0.33) HTR2ADRD3LMNASMN1; SMN2DRD2
SCHEMBL4873216 0.82 ACACB (0.39) ALDH1A1LMNARAB9ATSHR

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 GRIN1 381/4885GRIN2B 534/4885HTR2A 238/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 GRIN1 292/4885GRIN2B 503/4885HTR2A 199/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 GRIN1 292/4885GRIN2B 503/4885HTR2A 199/4885

“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.