SCHEMBL4870455

SCHEMBL4870455

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
CYP1A1 P04798 5/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SOAT2 O75908 1/20 0.34
SOAT1 P35610 1/20 0.34
POLB P06746 1/20 0.33
PDK2 Q15119 2/20 0.32
PDK1 Q15118 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
AOC2 O75106 2/20 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
SCHEMBL4872667 0.90 CYP1A1 (0.35) CYP1A1KMT2AMEN1SOAT2SOAT1
SCHEMBL4873141 0.90 CYP1A1 (0.41) SLC6A4SLC6A3CYP1A1KMT2AMEN1
SCHEMBL4873593 0.90 ADAMTS5 (0.40) CYP1A1KMT2AMEN1SOAT2SOAT1
SCHEMBL4870299 0.90 SOAT2 (0.40) CYP1A1KMT2AMEN1SOAT2SOAT1
SCHEMBL4872453 0.88 SOAT2 (0.38) KMT2AMEN1SOAT2SOAT1PDK2
SCHEMBL4876981 0.88 KDM4E (0.38) P2RX7SLC6A4CYP1A1KMT2AMEN1
SCHEMBL4875897 0.86 SOAT2 (0.38) CYP1A1KMT2AMEN1SOAT2SOAT1
SCHEMBL4876273 0.85 POLB (0.47) SLC6A4SLC6A3CYP1A1KMT2AMEN1
SCHEMBL4870411 0.85 KMT2A (0.37) KMT2AMEN1SOAT2SOAT1
SCHEMBL4871325 0.85 KMT2A (0.38) KMT2AMEN1SOAT2SOAT1POLB

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 286/4885SLC6A4 990/4885SLC6A3 562/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 P2RX7 282/4885SLC6A4 880/4885SLC6A3 640/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 P2RX7 282/4885SLC6A4 880/4885SLC6A3 640/4885

“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.