SCHEMBL4870280

SCHEMBL4870280

CCC(CCCCN1CCCCCC1=O)NC(C)Cc1ccc(OS(=O)(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 2/20 0.39
SOAT1 P35610 2/20 0.39
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
LMNA P02545 2/20 0.36
P2RX7 Q99572 11/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CAMK2D Q13557 1/20 0.35
P2RX4 Q99571 1/20 0.35
CAMK2A Q9UQM7 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TYMS P04818 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
SCHEMBL4870307 0.87 SOAT2 (0.41) SOAT2SOAT1LMNAALDH1A1MEN1
SCHEMBL4875904 0.87 SOAT2 (0.39) SOAT2SOAT1MTNR1AMTNR1BLMNA
SCHEMBL4871334 0.85 KMT2A (0.40) SOAT2SOAT1LMNAALDH1A1SMN1; SMN2
SCHEMBL4876529 0.84 KMT2A (0.39) SOAT2SOAT1LMNAALDH1A1SMN1; SMN2
SCHEMBL4870511 0.83 SOAT2 (0.42) SOAT2SOAT1LMNAALDH1A1HTT
SCHEMBL4872680 0.83 KMT2A (0.37) SOAT2SOAT1LMNAALDH1A1SMN1; SMN2
SCHEMBL4873152 0.83 GAA (0.40) SOAT2SOAT1LMNAALDH1A1SMN1; SMN2
SCHEMBL4873603 0.83 CYP1A1 (0.38) SOAT2SOAT1LMNAALDH1A1SMN1; SMN2
SCHEMBL4870422 0.82 KMT2A (0.38) SOAT2SOAT1LMNAALDH1A1SMN1; SMN2
SCHEMBL4872455 0.82 SOAT2 (0.39) SOAT2SOAT1LMNAALDH1A1SMN1; 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 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.