SCHEMBL4874227

SCHEMBL4874227

CCCN(CCCCN1CCN(C)CCC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
DRD3 P35462 3/20 0.34
DRD2 P14416 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR6 P50406 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
PTGS2 P35354 1/20 0.32
GAA P10253 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
SCHEMBL4875996 0.91 PTGS2 (0.35) DRD3HTR2AHTR2CSMN1; SMN2LMNA
SCHEMBL6171303 0.91 PTGS2 (0.35) DRD3HTR2AHTR2CSMN1; SMN2LMNA
SCHEMBL4876330 0.90 POLB (0.37) RAB9ACYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL4866722 0.89 POLB (0.36) RAB9ACYP2C19POLBALDH1A1
SCHEMBL4875053 0.89 SMN1; SMN2 (0.33) NPC1RAB9ASMN1; SMN2LMNAPRMT5
SCHEMBL4875582 0.88 CCR5 (0.36) NPC1SIRT2PTGS2ALDH1A1
SCHEMBL7083990 0.88 ADAMTS5 (0.33) SMN1; SMN2LMNASIRT2PTGS2ALDH1A1
SCHEMBL14194498 0.87 ALDH1A1 (0.38) DRD3CYP2D6SMN1; SMN2PTGS2ALDH1A1
SCHEMBL4871441 0.87 SIRT2 (0.33) DRD3DRD2HTR2AHTR2CHTR6
SCHEMBL14194497 0.87 SIRT2 (0.33) DRD3DRD2HTR2AHTR2CHTR6

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 NPC1 1987/4885RAB9A 3218/4885DRD3 166/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 NPC1 1483/4885RAB9A 2725/4885DRD3 196/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 NPC1 1483/4885RAB9A 2725/4885DRD3 196/4885

“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.