SCHEMBL4872453

SCHEMBL4872453

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 2/20 0.38
SOAT1 P35610 2/20 0.38
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD5 P21918 2/20 0.38
DRD3 P35462 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDK2 Q15119 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CD274 Q9NZQ7 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
SCHEMBL4875013 0.94 SOAT2 (0.38) SOAT2SOAT1DRD2DRD1DRD4
SCHEMBL4871325 0.90 KMT2A (0.38) SOAT2SOAT1MEN1KMT2ASMN1; SMN2
SCHEMBL4876523 0.89 KMT2A (0.38) SOAT2SOAT1MEN1KMT2ASMN1; SMN2
SCHEMBL4875846 0.89 KMT2A (0.37) SOAT2SOAT1MEN1KMT2ASMN1; SMN2
SCHEMBL4870411 0.89 KMT2A (0.37) SOAT2SOAT1MEN1KMT2ASMN1; SMN2
SCHEMBL4870299 0.88 SOAT2 (0.40) SOAT2SOAT1MEN1KMT2AL3MBTL1
SCHEMBL4870455 0.88 P2RX7 (0.36) SOAT2SOAT1MEN1KMT2APDK2
SCHEMBL4866712 0.88 KMT2A (0.37) SOAT2SOAT1MEN1KMT2ASMN1; SMN2
SCHEMBL4870498 0.87 SOAT2 (0.41) SOAT2SOAT1MEN1KMT2AL3MBTL1
SCHEMBL4872667 0.85 CYP1A1 (0.35) SOAT2SOAT1MEN1KMT2A

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 SOAT2 2253/4885SOAT1 2137/4885DRD2 175/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SOAT2 2093/4885SOAT1 1799/4885DRD2 192/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SOAT2 2093/4885SOAT1 1799/4885DRD2 192/4885

“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.