SCHEMBL4876282

SCHEMBL4876282

CCC(CCCCN1CCCCCC1=O)NC(C)Cc1ccc(OS(=O)(=O)c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.36
CYP1A1 P04798 3/20 0.36
THRB P10828 1/20 0.36
PGK1 P00558 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
SOAT2 O75908 1/20 0.34
SOAT1 P35610 1/20 0.34
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 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
SCHEMBL4873152 0.91 GAA (0.40) POLBALDH1A1CYP1A1KMT2AMEN1
SCHEMBL4875904 0.89 SOAT2 (0.39) POLBALDH1A1KMT2AMEN1SOAT2
SCHEMBL4872680 0.88 KMT2A (0.37) POLBALDH1A1CYP1A1KMT2AMEN1
SCHEMBL4873603 0.88 CYP1A1 (0.38) POLBALDH1A1CYP1A1KMT2AMEN1
SCHEMBL4870307 0.87 SOAT2 (0.41) ALDH1A1KMT2AMEN1SOAT2SOAT1
SCHEMBL6093684 0.85 P2RX7 (0.38) POLBALDH1A1KMT2AMEN1SOAT2
SCHEMBL4876993 0.85 KDM4E (0.39) POLBALDH1A1KMT2AMEN1SOAT2
SCHEMBL4871334 0.85 KMT2A (0.40) POLBALDH1A1KMT2AMEN1SOAT2
SCHEMBL4870422 0.84 KMT2A (0.38) POLBALDH1A1KMT2AMEN1SOAT2
SCHEMBL4876529 0.84 KMT2A (0.39) POLBALDH1A1KMT2AMEN1SOAT2

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 7 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
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 US 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 POLB 4496/4885ALDH1A1 2504/4885CYP1A1 372/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 POLB 4520/4885ALDH1A1 1684/4885CYP1A1 205/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 POLB 4520/4885ALDH1A1 1684/4885CYP1A1 205/4885

“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.