SCHEMBL186319

SCHEMBL186319

O=C(NC1(C(=O)NCc2ccc(Nc3ccc(F)cc3C(F)(F)F)cn2)CC1)c1cncc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.49
NAMPT P43490 5/20 0.39
USP36 Q9P275 6/20 0.35
GNRHR P30968 1/20 0.35
TRPA1 O75762 2/20 0.34
CNR2 P34972 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DDR1 Q08345 1/20 0.34
P2RX7 Q99572 2/20 0.33

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
SCHEMBL186619 0.92 BDKRB1 (0.48) BDKRB1NAMPTUSP36CNR2DDR1
SCHEMBL186464 0.92 BDKRB1 (0.40) BDKRB1NAMPTTRPA1CNR2HDAC3
SCHEMBL2805698 0.91 BDKRB1 (0.40) BDKRB1TRPA1CNR2HDAC3HDAC1
SCHEMBL185794 0.91 BDKRB1 (0.40) BDKRB1NAMPTCNR2HDAC3HDAC1
SCHEMBL185916 0.91 BDKRB1 (0.41) BDKRB1TRPA1CNR2HDAC3HDAC1
SCHEMBL2805859 0.91 BDKRB1 (0.41) BDKRB1TRPA1CNR2HDAC3HDAC1
SCHEMBL186065 0.91 BDKRB1 (0.41) BDKRB1TRPA1CNR2HDAC3HDAC1
SCHEMBL186565 0.89 BDKRB1 (0.40) BDKRB1TRPA1CNR2HDAC3HDAC1
SCHEMBL186854 0.89 BDKRB1 (0.43) BDKRB1NAMPT
SCHEMBL186730 0.88 TRPA1 (0.40) BDKRB1NAMPTGNRHRTRPA1CNR2

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 BDKRB1 289/4885NAMPT 3026/4885USP36 4523/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885NAMPT 3026/4885USP36 4523/4885

“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.