SCHEMBL4873152

SCHEMBL4873152

CCC(CCCCN1CCCCCC1=O)NC(C)Cc1ccc(OS(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP1A1 P04798 2/20 0.39
POLB P06746 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
SOAT2 O75908 1/20 0.36
SOAT1 P35610 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL4872680 0.93 KMT2A (0.37) SMN1; SMN2CYP1A1POLBKMT2AMEN1
SCHEMBL4873603 0.93 CYP1A1 (0.38) GAASMN1; SMN2CYP1A1POLBKMT2A
SCHEMBL4870307 0.93 SOAT2 (0.41) KMT2AMEN1SOAT2SOAT1ALDH1A1
SCHEMBL4876282 0.91 POLB (0.48) CYP1A1POLBKMT2AMEN1SOAT2
SCHEMBL6093684 0.91 P2RX7 (0.38) POLBKMT2AMEN1SOAT2SOAT1
SCHEMBL4876993 0.91 KDM4E (0.39) SMN1; SMN2POLBKMT2AMEN1SOAT2
SCHEMBL4875904 0.89 SOAT2 (0.39) GAAPOLBKMT2AMEN1SOAT2
SCHEMBL4871334 0.88 KMT2A (0.40) SMN1; SMN2POLBKMT2AMEN1SOAT2
SCHEMBL4870422 0.87 KMT2A (0.38) SMN1; SMN2POLBKMT2AMEN1SOAT2
SCHEMBL4876529 0.87 KMT2A (0.39) SMN1; SMN2POLBKMT2AMEN1SOAT2

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 GAA 4460/4885SMN1; SMN2 3854/4885CYP1A1 372/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 GAA 4250/4885SMN1; SMN2 3754/4885CYP1A1 205/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 GAA 4250/4885SMN1; SMN2 3754/4885CYP1A1 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.