SCHEMBL4875445

SCHEMBL4875445

CCN(CCCCN1CCCCOC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.36
PIK3CD O00329 1/20 0.34
CYP3A4 P08684 2/20 0.33
GRM2 Q14416 1/20 0.33
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
TSHR P16473 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 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
SCHEMBL4873573 0.99 CYP2D6 (0.35) CYP2D6PIK3CDCYP3A4GRM2ADRB2
SCHEMBL4869195 0.97 PIK3CD (0.37) CYP2D6PIK3CDCYP3A4GRM2ADRB2
SCHEMBL14223630 0.97 PIK3CD (0.37) CYP2D6PIK3CDCYP3A4GRM2ADRB2
SCHEMBL4873539 0.94 PIK3CD (0.33) CYP2D6PIK3CDGRM2ALDH1A1F2R
SCHEMBL4875887 0.89 LMNA (0.33) CYP2D6PIK3CDCYP3A4GRM2ADRB2
SCHEMBL4870248 0.89 PIK3CD (0.35) PIK3CDGRM2KCNH2ALDH1A1F2R
SCHEMBL4866770 0.88 GRM2 (0.33) CYP2D6PIK3CDCYP3A4GRM2ADRB2
SCHEMBL4870444 0.88 PIK3CD (0.36) CYP2D6PIK3CDCYP3A4GRM2ADRB2
SCHEMBL4864452 0.87 SMN1; SMN2 (0.37) CYP2D6CYP3A4ADRB2HTR1AADRA2A
SCHEMBL4869051 0.86 PIK3CD (0.34) CYP2D6PIK3CDCYP3A4GRM2ADRB2

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 CYP2D6 194/4885PIK3CD 3258/4885CYP3A4 283/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CYP2D6 129/4885PIK3CD 3151/4885CYP3A4 197/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CYP2D6 129/4885PIK3CD 3151/4885CYP3A4 197/4885

“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.