SCHEMBL6011962

SCHEMBL6011962

N#CCOc1ccc(S(=O)(=O)CCN2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.51
KCNH2 Q12809 4/20 0.51
LTA4H P09960 1/20 0.49
LOX P28300 1/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
ADAM17 P78536 2/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6469273 0.82 HRH3 (0.52) HRH3KCNH2LTA4HLOXGAA
SCHEMBL2921597 0.74 ESR1 (0.58) HRH3KCNH2LOXGAAMEN1
SCHEMBL56319 0.74 LOX (0.57) HRH3KCNH2LOXGAATSHR
SCHEMBL13604236 0.74 KMT2A (0.71) LTA4HLOXMEN1KMT2A
SCHEMBL3747083 0.72 AOC3 (0.56) HRH3KCNH2
SCHEMBL3747085 0.72 AOC3 (0.56) HRH3KCNH2
SCHEMBL3747078 0.72 AOC3 (0.56) HRH3KCNH2
SCHEMBL2922255 0.72 ESR1 (0.56) LTA4HLOXGAAMEN1KMT2A
SCHEMBL14476103 0.72 MEN1 (0.73) LTA4HLOXMEN1KMT2A
Hydrochloric Acid SCHEMBL2923094 0.72 AOC3 (0.55) HRH3KCNH2

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-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2006-08-24 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-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 CCR5, CCR2, CCR1 HRH3 148/4885KCNH2 2437/4885LTA4H 2628/4885

“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.