SCHEMBL1565166

SCHEMBL1565166

COC(=O)CC(C)C(=O)NCc1cncc(Cl)c1CO

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 3/20 0.38
TSHR P16473 1/20 0.34
ALDH1A1 P00352 4/20 0.33
PDE4D Q08499 4/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
PTGES O14684 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE4A P27815 2/20 0.31
NPC1 O15118 1/20 0.31
CYP3A4 P08684 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31

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
SCHEMBL1563114 0.92 BDKRB2 (0.37) BDKRB2TSHRALDH1A1PDE4DLMNA
SCHEMBL1563200 0.85 BDKRB2 (0.44) BDKRB2ALDH1A1LMNAMAPTPTGES
SCHEMBL1564328 0.75 BDKRB2 (0.43) BDKRB2ALDH1A1LMNAMAPTPTGES
Hydrochloric Acid SCHEMBL2872100 0.74 BDKRB2 (0.42) BDKRB2ALDH1A1LMNAMAPTPTGES
SCHEMBL1565167 0.71 PDE4D (0.32) PDE4DMAPTPDE4APDE4BPDE4C
SCHEMBL31539699 0.70 MAPT (0.37) TSHRALDH1A1LMNAMAPTMAPK1
SCHEMBL1564959 0.70 SLC6A2 (0.38) ALDH1A1PDE4DKDM4E
SCHEMBL844835 0.68 PDXK (0.36) ALDH1A1PDE4DMAPTKDM4EPDE4A
SCHEMBL1563060 0.67 PDE4D (0.36) BDKRB2ALDH1A1PDE4DLMNAMAPT
SCHEMBL7354463 0.67 PDE4D (0.51) ALDH1A1PDE4DLMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410134-B2 8-oxy-quinoline derivatives as bradykinin B2 receptor modulators SHIRE ORPHAN THERAPIES GMBH (DE) 2013-04-02 US disclosed
EP-2305668-A1 8-oxy-quinoline derivatives as bradykinin B2 receptor modulators Jerini AG (DE) 2011-04-06 EP disclosed
EP-2144897-B1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2010-10-20 EP disclosed
US-20100234344-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2010-09-16 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-20100234344-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS BDKRB2, BDKRB1, HRH2 BDKRB2 1/4885TSHR 1407/4885ALDH1A1 3393/4885

“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.