SCHEMBL4870422

SCHEMBL4870422

CCCS(=O)(=O)Oc1ccc(CC(C)NC(CC)CCCCN2CCCCCC2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SOAT2 O75908 2/20 0.37
SOAT1 P35610 2/20 0.37
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
ENPP2 Q13822 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ACACB O00763 1/20 0.32
POLB P06746 1/20 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
SCHEMBL4873530 0.96 KMT2A (0.38) KMT2AMEN1SOAT2SOAT1ENPP3
SCHEMBL4871334 0.94 KMT2A (0.40) KMT2AMEN1SOAT2SOAT1ENPP3
SCHEMBL4876529 0.90 KMT2A (0.39) KMT2AMEN1SOAT2SOAT1SMN1; SMN2
SCHEMBL4870511 0.89 SOAT2 (0.42) KMT2AMEN1SOAT2SOAT1LMNA
SCHEMBL4870307 0.88 SOAT2 (0.41) KMT2AMEN1SOAT2SOAT1ENPP3
SCHEMBL4875855 0.88 KMT2A (0.38) KMT2AMEN1SOAT2SOAT1SMN1; SMN2
SCHEMBL4872455 0.88 SOAT2 (0.39) KMT2AMEN1SOAT2SOAT1SMN1; SMN2
SCHEMBL4873152 0.87 GAA (0.40) KMT2AMEN1SOAT2SOAT1SMN1; SMN2
SCHEMBL4872680 0.87 KMT2A (0.37) KMT2AMEN1SOAT2SOAT1SMN1; SMN2
SCHEMBL4873603 0.87 CYP1A1 (0.38) KMT2AMEN1SOAT2SOAT1SMN1; SMN2

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 KMT2A 1941/4885MEN1 1954/4885SOAT2 2253/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KMT2A 2014/4885MEN1 1892/4885SOAT2 2093/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KMT2A 2014/4885MEN1 1892/4885SOAT2 2093/4885

“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.