SCHEMBL5405103

SCHEMBL5405103

CS(=O)(=O)c1cccc(C(=O)N2CCC([N+]3([O-])CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 17/20 0.72
CCR3 P51677 17/20 0.72
EPHX2 P34913 1/20 0.45
KCNH2 Q12809 4/20 0.45
HRH3 Q9Y5N1 1/20 0.43
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
SCHEMBL5409041 0.84 HRH1 (1.00) HRH1CCR3KCNH2HRH3
Acetic Acid SCHEMBL4718930 0.82 HRH1 (0.95) HRH1CCR3KCNH2HRH3
SCHEMBL1809105 0.79 HRH1 (0.72) HRH1CCR3EPHX2HRH3KMT2A
SCHEMBL7148154 0.79 HRH1 (0.77) HRH1CCR3EPHX2KCNH2HRH3
SCHEMBL1811381 0.79 HRH1 (0.71) HRH1CCR3EPHX2HRH3KMT2A
SCHEMBL18841184 0.77 HRH1 (1.00) HRH1CCR3EPHX2KCNH2HRH3
SCHEMBL5349196 0.74 CCR3 (0.65) HRH1CCR3EPHX2KCNH2HRH3
SCHEMBL5345571 0.74 CCR3 (0.65) HRH1CCR3EPHX2KCNH2HRH3
Acetic Acid SCHEMBL7016421 0.74 CCR3 (0.53) HRH1CCR3EPHX2KCNH2KMT2A
SCHEMBL1810466 0.73 HRH1 (0.64) HRH1CCR3EPHX2HRH3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179297-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-08-02 US disclosed
US-7238811-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-07-03 US disclosed
US-7179922-B2 4-Phenyloxypiperidionopiperidine compounds as antiinflammatory agents; autoimmune diseases; rheumatic diseases; cardiovascular disorders ASTRAZENECA AB (SE) 2007-02-20 US disclosed
US-20050171092-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2005-08-04 US disclosed
EP-1274701-B1 [1,4']-BIPIPERIDINE COMPOUNDS ASTRAZENECA AB (SE) 2005-06-29 EP disclosed
US-6903115-B2 Bipiperidine compounds ASTRAZENECA AB (SE) 2005-06-07 US disclosed
EP-1493743-A1 Substituted bipiperidine intermediates and derivatives thereof AstraZeneca AB (SE) 2005-01-05 EP disclosed
US-20040014783-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2004-01-22 US disclosed
US-20040006080-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2004-01-08 US disclosed
US-6525070-B2 For therapy of chemokine (such as CCR3) or H1 mediated disease state ASTRAZENECA AB (SE) 2003-02-25 US disclosed
US-20020077337-A1 Chemical compounds ASTRAZENECA AB (SE) 2002-06-20 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 (5 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-20020077337-A1 Chemical compounds CCR3, CCR1, CCR4 HRH1 39/4885CCR3 1/4885EPHX2 382/4885
US-20050171092-A1 Chemical compounds CCR3, CCR1, CCR4 HRH1 38/4885CCR3 1/4885EPHX2 325/4885
US-20040006080-A1 Chemical compounds CCR3, CCR1, CCR4 HRH1 39/4885CCR3 1/4885EPHX2 382/4885
US-20040014783-A1 Chemical compounds CCR3, CCR1, CCR4 HRH1 39/4885CCR3 1/4885EPHX2 382/4885
US-20070179297-A1 Chemical compounds CCR3, CCR1, CCR4 HRH1 38/4885CCR3 1/4885EPHX2 325/4885

“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.