SCHEMBL186065

SCHEMBL186065

CNc1cncc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(F)cc4C(F)(F)F)cn3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.41
NTRK1 P04629 2/20 0.34
PTK2 Q05397 3/20 0.34
CNR2 P34972 1/20 0.33
TRPA1 O75762 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
P2RX7 Q99572 2/20 0.33
AURKA O14965 2/20 0.32
OPRL1 P41146 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
ULK1 O75385 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
SCHEMBL13166249 0.93 BDKRB1 (0.40) BDKRB1NTRK1PTK2CNR2HDAC1
SCHEMBL186490 0.93 OPRL1 (0.36) BDKRB1NTRK1PTK2CNR2TRPA1
SCHEMBL2804959 0.93 OPRL1 (0.36) BDKRB1NTRK1PTK2CNR2TRPA1
SCHEMBL186661 0.92 BDKRB1 (0.40) BDKRB1PTK2CNR2P2RX7
SCHEMBL186565 0.92 BDKRB1 (0.40) BDKRB1NTRK1PTK2CNR2TRPA1
SCHEMBL185916 0.91 BDKRB1 (0.41) BDKRB1NTRK1PTK2CNR2TRPA1
SCHEMBL186464 0.91 BDKRB1 (0.40) BDKRB1PTK2CNR2TRPA1HDAC3
SCHEMBL186319 0.91 BDKRB1 (0.49) BDKRB1CNR2TRPA1HDAC3HDAC1
SCHEMBL185794 0.90 BDKRB1 (0.40) BDKRB1CNR2HDAC3HDAC1HDAC2
SCHEMBL2805698 0.90 BDKRB1 (0.40) BDKRB1PTK2CNR2TRPA1HDAC3

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 9 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-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 BDKRB1 289/4885NTRK1 4210/4885PTK2 3921/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885NTRK1 4210/4885PTK2 3921/4885

“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.