SCHEMBL4875904

SCHEMBL4875904

CCC(CCCCN1CCCCCC1=O)NC(C)Cc1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 2/20 0.39
SOAT1 P35610 2/20 0.39
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
SLC2A1 P11166 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL4870307 0.91 SOAT2 (0.41) SOAT2SOAT1KMT2AMEN1LMNA
SCHEMBL4873152 0.89 GAA (0.40) SOAT2SOAT1KMT2AMEN1LMNA
SCHEMBL4872680 0.89 KMT2A (0.37) SOAT2SOAT1KMT2AMEN1LMNA
SCHEMBL4876282 0.89 POLB (0.48) SOAT2SOAT1KMT2AMEN1POLB
SCHEMBL4873603 0.88 CYP1A1 (0.38) SOAT2SOAT1KMT2AMEN1LMNA
SCHEMBL4870280 0.87 SOAT2 (0.39) SOAT2SOAT1MTNR1AMTNR1BKMT2A
SCHEMBL6093684 0.86 P2RX7 (0.38) SOAT2SOAT1KMT2AMEN1TDP1
SCHEMBL4876993 0.86 KDM4E (0.39) SOAT2SOAT1KMT2AMEN1POLB
SCHEMBL4871334 0.85 KMT2A (0.40) SOAT2SOAT1KMT2AMEN1LMNA
SCHEMBL4870422 0.85 KMT2A (0.38) SOAT2SOAT1KMT2AMEN1LMNA

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 2137/4885MTNR1A 134/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SOAT2 2093/4885SOAT1 1799/4885MTNR1A 80/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SOAT2 2093/4885SOAT1 1799/4885MTNR1A 80/4885

“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.