SCHEMBL5404972

SCHEMBL5404972

COc1cc(C(=O)N2CCCC(N3CCC(Oc4ccc(F)c(F)c4)CC3)C2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ADRB2 P07550 1/20 0.46
HRH1 P35367 3/20 0.44
CCR3 P51677 2/20 0.44
HSD11B1 P28845 1/20 0.43
HRH3 Q9Y5N1 5/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KCNH2 Q12809 2/20 0.42
GFER P55789 1/20 0.41

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) MEN1KMT2AADRB2HRH1CCR3
SCHEMBL4719968 0.89 HRH1 (0.52) MEN1KMT2AADRB2HRH1CCR3
SCHEMBL16982454 0.81 ALDH1A1 (0.60) MEN1KMT2AHSD11B1ALDH1A1HPGD
SCHEMBL18394775 0.81 ALDH1A1 (0.60) MEN1KMT2AHSD11B1ALDH1A1HPGD
SCHEMBL18407314 0.81 ALDH1A1 (0.60) MEN1KMT2AHSD11B1ALDH1A1HPGD
SCHEMBL15651538 0.78 ALDH1A1 (0.57) MEN1KMT2AHSD11B1ALDH1A1HPGD
SCHEMBL5414999 0.76 GPR119 (0.60) MEN1KMT2AHRH1CCR3HRH3
SCHEMBL15652019 0.75 HSD11B1 (0.52) HSD11B1HPGD
Acetic Acid SCHEMBL5407035 0.75 HRH1 (0.66) HRH1CCR3HSD11B1KCNH2
SCHEMBL21938860 0.74 HSD11B1 (0.54) MEN1KMT2AHSD11B1ALDH1A1HPGD

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 MEN1 696/4885KMT2A 3084/4885ADRB2 1158/4885
US-20050171092-A1 Chemical compounds CCR3, CCR1, CCR4 MEN1 809/4885KMT2A 2792/4885ADRB2 969/4885
US-20040006080-A1 Chemical compounds CCR3, CCR1, CCR4 MEN1 696/4885KMT2A 3084/4885ADRB2 1158/4885
US-20040014783-A1 Chemical compounds CCR3, CCR1, CCR4 MEN1 696/4885KMT2A 3084/4885ADRB2 1158/4885
US-20070179297-A1 Chemical compounds CCR3, CCR1, CCR4 MEN1 809/4885KMT2A 2792/4885ADRB2 969/4885

“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.