SCHEMBL6503893

SCHEMBL6503893

C[C@@H]1CN(CC(=O)Nc2cccc3ncccc23)CCN1S(=O)(=O)c1ccccc1S(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.52
EIF4H Q15056 1/20 0.52
P2RX7 Q99572 1/20 0.46
HSD11B1 P28845 1/20 0.46
GAA P10253 2/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RECQL P46063 1/20 0.43
HDAC3 O15379 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL6503897 1.00 PABPC1 (0.52) PABPC1EIF4HP2RX7HSD11B1GAA
SCHEMBL6334534 0.89 HSD11B1 (0.51) PABPC1EIF4HP2RX7HSD11B1GAA
SCHEMBL6334538 0.89 HSD11B1 (0.51) PABPC1EIF4HP2RX7HSD11B1GAA
SCHEMBL6344429 0.88 P2RX7 (0.48) PABPC1EIF4HP2RX7HSD11B1GAA
SCHEMBL6344433 0.88 P2RX7 (0.48) PABPC1EIF4HP2RX7HSD11B1GAA
SCHEMBL6334639 0.84 HSD11B1 (0.48) P2RX7HSD11B1GAALMNAALDH1A1
SCHEMBL6334636 0.84 HSD11B1 (0.48) P2RX7HSD11B1GAALMNAALDH1A1
SCHEMBL6334700 0.84 HSD11B1 (0.48) P2RX7HSD11B1GAALMNAALDH1A1
SCHEMBL6334719 0.83 HSD11B1 (0.49) P2RX7HSD11B1GAALMNAALDH1A1
SCHEMBL6334725 0.83 HSD11B1 (0.49) P2RX7HSD11B1GAALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272745-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB 2005-12-08 US claimed

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-20050272745-A1 Novel piperidine and piperazine derivatives CYP3A5, IL5, ABCC5 PABPC1 3039/4885EIF4H 1296/4885P2RX7 32/4885

“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.