SCHEMBL2874872

SCHEMBL2874872

O=CNCc1cncc(Cl)c1CCl

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH7 P40394 1/20 0.32
P2RX7 Q99572 1/20 0.30

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
SCHEMBL2875013 0.87 P2RX7 (0.31) ADH1BADH1CADH1AADH7P2RX7
SCHEMBL2874875 0.77 SLC6A4 (0.40)
SCHEMBL1563996 0.72 GAA (0.33)
SCHEMBL2877362 0.71 PDE4A (0.34) P2RX7
SCHEMBL1564328 0.71 BDKRB2 (0.43)
Hydrochloric Acid SCHEMBL2872100 0.70 BDKRB2 (0.42)
Hydrochloric Acid SCHEMBL6627836 0.70 GAA (0.32)
SCHEMBL2874874 0.69 PDE4D (0.38) P2RX7
SCHEMBL27800366 0.68 PDE4D (0.34) P2RX7
SCHEMBL27779552 0.67 PDE4D (0.32)

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 5 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-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
EP-2144897-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS Jerini AG (DE) 2010-01-20 EP disclosed
WO-2008116620-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2008-10-02 WO 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 ADH1B 2464/4885ADH1C 2484/4885ADH1A 1874/4885

“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.