SCHEMBL4719968

SCHEMBL4719968

COc1cc(C(=O)N2CCC(N3CCC(Oc4ccc(F)c(F)c4)CC3)CC2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.52
CCR3 P51677 8/20 0.52
HSD11B1 P28845 1/20 0.51
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 4/20 0.47
ADRB2 P07550 1/20 0.47
LRRK2 Q5S007 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL5407018 0.95 HRH1 (0.49) HRH1CCR3HSD11B1KDM4EALDH1A1
SCHEMBL5404972 0.89 MEN1 (0.47) HRH1CCR3HSD11B1ALDH1A1MEN1
Acetic Acid SCHEMBL5407035 0.85 HRH1 (0.66) HRH1CCR3HSD11B1LRRK2KCNH2
SCHEMBL1912013 0.80 LRRK2 (0.69) HSD11B1KDM4EALDH1A1MEN1KMT2A
SCHEMBL29517202 0.79 KDM4E (0.60) HSD11B1KDM4EALDH1A1LRRK2L3MBTL3
SCHEMBL14320301 0.79 KDM4E (0.60) HSD11B1KDM4EALDH1A1LRRK2L3MBTL3
SCHEMBL1809532 0.78 HSD11B1 (0.55) HSD11B1ALDH1A1MEN1KMT2AHRH3
Trifluoroacetic Acid SCHEMBL5407013 0.78 HRH1 (0.50) HRH1CCR3HSD11B1KDM4EALDH1A1
SCHEMBL15652411 0.77 HSD11B1 (0.61) HSD11B1KDM4EALDH1A1HRH3LRRK2
SCHEMBL1807918 0.77 MGLL (0.54) HSD11B1KDM4EMEN1KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1493743-B1 Substituted bipiperidine intermediates and derivatives thereof ASTRAZENECA AB (SE) 2008-09-03 EP disclosed
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 1/4885HSD11B1 270/4885
US-20050171092-A1 Chemical compounds CCR3, CCR1, CCR4 HRH1 38/4885CCR3 1/4885HSD11B1 242/4885
US-20040006080-A1 Chemical compounds CCR3, CCR1, CCR4 HRH1 39/4885CCR3 1/4885HSD11B1 270/4885
US-20040014783-A1 Chemical compounds CCR3, CCR1, CCR4 HRH1 39/4885CCR3 1/4885HSD11B1 270/4885
US-20070179297-A1 Chemical compounds CCR3, CCR1, CCR4 HRH1 38/4885CCR3 1/4885HSD11B1 242/4885

“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.