SCHEMBL4873767

SCHEMBL4873767

CCN(CCCCN1CCN(S(=O)(=O)CCN2CCN(C)CC2)CC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 3/20 0.33
CCR5 P51681 6/20 0.32
KCNH2 Q12809 3/20 0.32
KCNJ1 P48048 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CYP2D6 P10635 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCR2 P41597 1/20 0.31
PRMT5 O14744 2/20 0.31
WDR77 Q9BQA1 2/20 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
SCHEMBL4876433 0.95 CCR2 (0.33) NMT1CCR5KCNH2KCNJ1CYP2D6
SCHEMBL4874284 0.94 CCR2 (0.33) CCR5KCNH2CCR2
SCHEMBL4865484 0.92 CCR5 (0.31) CCR5KCNH2
SCHEMBL4873778 0.90 CCR2 (0.34) CCR5CCR2
SCHEMBL4873613 0.89 LMNA (0.31) CYP2D6SMN1; SMN2
SCHEMBL4870439 0.89 LMNA (0.31) CYP2D6SMN1; SMN2
SCHEMBL4870208 0.89 ACHE (0.31) CYP2D6SMN1; SMN2
SCHEMBL4874224 0.88 LMNA (0.30) CYP2D6SMN1; SMN2
SCHEMBL4871408 0.87 CCR2 (0.31) CCR2
SCHEMBL4875121 0.87 CYP2D6 (0.36) CCR5KCNH2ALDH1A1CYP2D6SMN1; SMN2

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 NMT1 1270/4885CCR5 105/4885KCNH2 574/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 NMT1 1082/4885CCR5 110/4885KCNH2 542/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 NMT1 1082/4885CCR5 110/4885KCNH2 542/4885

“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.