SCHEMBL186440

SCHEMBL186440

COc1ccc(Nc2ccc(CN)cc2)c(C)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.65
KLKB1 P03952 1/20 0.48
ADRA2A P08913 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
MAOB P27338 3/20 0.47
ALDH1A1 P00352 2/20 0.45
PLG P00747 2/20 0.43
KLK1 P06870 2/20 0.43
KLK6 Q92876 2/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43

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
SCHEMBL25634740 0.85 GAA (0.80) GAAADRA2AADRA2CADRA1DADRA1A
SCHEMBL25633969 0.85 GAA (0.65) GAAADRA2AADRA2CADRA1DADRA1A
SCHEMBL6999192 0.82 GAA (0.75) GAAADRA2AADRA2CADRA1DADRA1A
SCHEMBL2952972 0.82 GAA (0.75) GAAADRA2AADRA2CADRA1DADRA1A
SCHEMBL9618028 0.81 GAA (0.60) GAAADRA2AADRA2CADRA1DADRA1A
SCHEMBL672517 0.80 KLKB1 (0.44) GAAKLKB1MAOBPLGKLK1
SCHEMBL186342 0.80 GAA (0.68) GAAKLKB1MAOBALDH1A1MAPT
SCHEMBL7002502 0.80 GAA (0.71) GAAADRA2AADRA2CADRA1DADRA1A
SCHEMBL9479715 0.80 GAA (0.93) GAAADRA2AADRA2CADRA1DADRA1A
SCHEMBL502786 0.79 GAA (1.00) GAAADRA2AADRA2CADRA1DADRA1A

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-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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 (2 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 GAA 1561/4885KLKB1 3460/4885ADRA2A 711/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 GAA 1561/4885KLKB1 3460/4885ADRA2A 711/4885

“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.