SCHEMBL4873593

SCHEMBL4873593

CCCN(CCCCN1CCCCCC1=O)C(C)Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.40
CYP1A1 P04798 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SOAT2 O75908 1/20 0.35
SOAT1 P35610 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL4872667 0.93 CYP1A1 (0.35) CYP1A1HPGDGAAKMT2AMEN1
SCHEMBL4873141 0.93 CYP1A1 (0.41) CYP1A1SMN1; SMN2HPGDGAAKMT2A
SCHEMBL4870299 0.92 SOAT2 (0.40) ADAMTS5CYP1A1L3MBTL1KMT2AMEN1
SCHEMBL4870455 0.90 P2RX7 (0.36) CYP1A1KMT2AMEN1SOAT2SOAT1
SCHEMBL4876981 0.90 KDM4E (0.38) CYP1A1KMT2AMEN1SOAT2SOAT1
SCHEMBL4875897 0.88 SOAT2 (0.38) ADAMTS5CYP1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL4875539 0.88 ADAMTS5 (0.40) ADAMTS5L3MBTL1KMT2ALMNA
SCHEMBL4876273 0.87 POLB (0.47) CYP1A1HPGDKMT2AMEN1ALDH1A1
SCHEMBL4870411 0.87 KMT2A (0.37) SMN1; SMN2KMT2AMEN1SOAT2SOAT1
SCHEMBL4871325 0.87 KMT2A (0.38) SMN1; SMN2L3MBTL1KMT2AMEN1SOAT2

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 ADAMTS5 1839/4885CYP1A1 372/4885SMN1; SMN2 3854/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ADAMTS5 2297/4885CYP1A1 205/4885SMN1; SMN2 3754/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ADAMTS5 2297/4885CYP1A1 205/4885SMN1; SMN2 3754/4885

“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.