SCHEMBL6093684

SCHEMBL6093684

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
SOAT2 O75908 1/20 0.35
SOAT1 P35610 1/20 0.35
POLB P06746 2/20 0.34
PDK2 Q15119 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACACB O00763 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
RAB9A P51151 1/20 0.32
AOC2 O75106 2/20 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
SCHEMBL4873152 0.91 GAA (0.40) KMT2AMEN1SOAT2SOAT1POLB
SCHEMBL4872680 0.91 KMT2A (0.37) KMT2AMEN1SOAT2SOAT1POLB
SCHEMBL4873603 0.90 CYP1A1 (0.38) KMT2AMEN1SOAT2SOAT1POLB
SCHEMBL4870307 0.90 SOAT2 (0.41) KMT2AMEN1SOAT2SOAT1KDM4E
SCHEMBL4872455 0.88 SOAT2 (0.39) KMT2AMEN1SOAT2SOAT1PDK2
SCHEMBL4876993 0.88 KDM4E (0.39) P2RX7KMT2AMEN1SOAT2SOAT1
SCHEMBL4875904 0.86 SOAT2 (0.39) KMT2AMEN1SOAT2SOAT1POLB
SCHEMBL4876282 0.85 POLB (0.48) KMT2AMEN1SOAT2SOAT1POLB
SCHEMBL4871334 0.85 KMT2A (0.40) KMT2AMEN1SOAT2SOAT1POLB
SCHEMBL4870422 0.85 KMT2A (0.38) KMT2AMEN1SOAT2SOAT1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094778-B2 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-08-22 US disclosed
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists DVORAK CHARLES ALOIS (US) 2004-05-06 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 (1 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-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 P2RX7 282/4885KMT2A 2014/4885MEN1 1892/4885

“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.