SCHEMBL4870265

SCHEMBL4870265

CCCN(CCCCN1CCCCCC1=O)C(C)Cc1ccc(OS(=O)(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.38
SOAT2 O75908 1/20 0.38
SOAT1 P35610 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
CAMK2D Q13557 1/20 0.36
P2RX4 Q99571 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
SLC6A9 P48067 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TYMS P04818 1/20 0.35

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
SCHEMBL4870299 0.87 SOAT2 (0.40) SOAT2SOAT1LMNA
SCHEMBL4875897 0.87 SOAT2 (0.38) SOAT2SOAT1MTNR1AMTNR1BALDH1A1
SCHEMBL4871325 0.84 KMT2A (0.38) SOAT2SOAT1ALDH1A1SMN1; SMN2
SCHEMBL4876523 0.84 KMT2A (0.38) SOAT2SOAT1ALDH1A1SMN1; SMN2
SCHEMBL4873141 0.83 CYP1A1 (0.41) ALDH1A1SMN1; SMN2LMNA
SCHEMBL4870498 0.83 SOAT2 (0.41) SOAT2SOAT1ALDH1A1LMNAHTT
SCHEMBL4872667 0.83 CYP1A1 (0.35) SOAT2SOAT1ALDH1A1
SCHEMBL4875846 0.83 KMT2A (0.37) SOAT2SOAT1MTNR1AMTNR1BALDH1A1
SCHEMBL4870411 0.83 KMT2A (0.37) SOAT2SOAT1ALDH1A1SMN1; SMN2
SCHEMBL4873593 0.83 ADAMTS5 (0.40) SOAT2SOAT1ALDH1A1SMN1; SMN2LMNA

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 P2RX7 286/4885SOAT2 2253/4885SOAT1 2137/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 P2RX7 282/4885SOAT2 2093/4885SOAT1 1799/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 P2RX7 282/4885SOAT2 2093/4885SOAT1 1799/4885

“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.