SCHEMBL4870307

SCHEMBL4870307

CCC(CCCCN1CCCCCC1=O)NC(C)Cc1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 2/20 0.41
SOAT1 P35610 2/20 0.41
LMNA P02545 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35
CD274 Q9NZQ7 1/20 0.34
ENPP3 O14638 2/20 0.34
ENPP1 P22413 2/20 0.34
ENPP2 Q13822 2/20 0.34
ADRA1B P35368 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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 0.93 GAA (0.40) SOAT2SOAT1LMNAKMT2AMEN1
SCHEMBL4872680 0.93 KMT2A (0.37) SOAT2SOAT1LMNAKMT2AMEN1
SCHEMBL4873603 0.92 CYP1A1 (0.38) SOAT2SOAT1LMNAKMT2AMEN1
SCHEMBL4875904 0.91 SOAT2 (0.39) SOAT2SOAT1LMNAKMT2AMEN1
SCHEMBL6093684 0.90 P2RX7 (0.38) SOAT2SOAT1KMT2AMEN1KDM4E
SCHEMBL4876993 0.90 KDM4E (0.39) SOAT2SOAT1KMT2AMEN1KDM4E
SCHEMBL4870511 0.89 SOAT2 (0.42) SOAT2SOAT1LMNAKMT2AMEN1
SCHEMBL4872338 0.89 SOAT2 (0.37) SOAT2SOAT1LMNAKMT2AMEN1
SCHEMBL4871334 0.89 KMT2A (0.40) SOAT2SOAT1LMNAKMT2AMEN1
SCHEMBL4870422 0.88 KMT2A (0.38) SOAT2SOAT1LMNAKMT2AMEN1

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 SOAT2 2253/4885SOAT1 2137/4885LMNA 3315/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SOAT2 2093/4885SOAT1 1799/4885LMNA 3391/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SOAT2 2093/4885SOAT1 1799/4885LMNA 3391/4885

“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.