SCHEMBL186387

SCHEMBL186387

O=C(NC1(C(=O)NCc2ccc(Nc3ccc(F)cc3C(F)(F)F)cn2)CC1)c1ccc(Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 11/20 0.42
KCNQ2 O43526 11/20 0.42
KCNE1 P15382 9/20 0.42
KCNQ1 P51787 9/20 0.42
BACE1 P56817 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CNR2 P34972 2/20 0.34
BDKRB1 P46663 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34

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
SCHEMBL14865328 0.92 KCNQ3 (0.41) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL186730 0.91 TRPA1 (0.40) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL186050 0.90 CNR1 (0.36) KCNQ3KCNQ2BACE1HDAC3HDAC1
SCHEMBL186398 0.90 HDAC1 (0.35) BACE1HDAC3HDAC1HDAC2HDAC6
SCHEMBL185570 0.90 ALDH1A1 (0.36) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL2807486 0.89 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL2811921 0.89 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL186506 0.88 AR (0.38) KCNQ3KCNQ2HDAC3HDAC1HDAC2
SCHEMBL185915 0.88 ABL1 (0.38) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL185794 0.88 BDKRB1 (0.40) KCNQ3KCNQ2KCNE1KCNQ1BACE1

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 10 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
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-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
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US 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
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 KCNQ3 1094/4885KCNQ2 1474/4885KCNE1 835/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 KCNQ3 1094/4885KCNQ2 1474/4885KCNE1 835/4885

“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.