SCHEMBL2874875

SCHEMBL2874875

CNCc1cncc(Cl)c1CCl

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.40
SLC6A2 P23975 11/20 0.40
SLC6A3 Q01959 4/20 0.35
HTR2A P28223 7/20 0.31
KCNH2 Q12809 6/20 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
SCHEMBL1564959 0.85 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3
SCHEMBL18393163 0.83 SLC6A2 (0.36) SLC6A4SLC6A2SLC6A3
SCHEMBL2874872 0.77 ADH1B (0.32)
SCHEMBL1563996 0.76 GAA (0.33)
SCHEMBL1564328 0.75 BDKRB2 (0.43)
Hydrochloric Acid SCHEMBL1563435 0.74 PDE4D (0.33)
Hydrochloric Acid SCHEMBL2872100 0.74 BDKRB2 (0.42)
Hydrochloric Acid SCHEMBL6627836 0.74 GAA (0.32)
SCHEMBL5768459 0.71 SLC6A2 (0.51) SLC6A4SLC6A2SLC6A3
SCHEMBL5769191 0.71 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3

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 SLC6A4 836/4885SLC6A2 475/4885SLC6A3 931/4885

“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.