SCHEMBL186307

SCHEMBL186307

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR2 P34972 6/20 0.37
EPHX2 P34913 2/20 0.35
P2RX7 Q99572 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
PTK2 Q05397 1/20 0.34
BDKRB1 P46663 1/20 0.34
CTSL P07711 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL2810010 0.92 RAB9A (0.39) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL186523 0.91 RAB9A (0.39) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL185785 0.91 EPHX2 (0.41) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL185549 0.91 CYP1A2 (0.39) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL186154 0.91 CNR2 (0.37) RAB9ACNR2EPHX2PTK2BDKRB1
SCHEMBL185846 0.90 CYP1A2 (0.38) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL185699 0.90 RAB9A (0.37) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL13128633 0.90 CYP1A2 (0.38) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL13128552 0.90 CNR2 (0.39) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL2809030 0.90 CNR2 (0.39) RAB9ACYP1A2CYP2D6CYP2C19CNR2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901127-B2 Pyridazin derivatives as antagonists of the bradykinin B1 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-02 US disclosed
US-20140038977-A1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-06 US disclosed
US-8522777-B2 Inhaler BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-03 US disclosed
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
US-8372838-B2 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
US-20120142695-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US 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
US-20100199986-A1 INHALER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
EP-2011536-A1 Inhaler Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-01-07 EP 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 (4 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-20120142695-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, EDNRB RAB9A 1419/4885CYP1A2 2156/4885CYP2D6 1690/4885
US-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 RAB9A 347/4885CYP1A2 892/4885CYP2D6 382/4885
US-20140038977-A1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BDKRB1, BDKRB2, HRH2 RAB9A 4296/4885CYP1A2 508/4885CYP2D6 549/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 RAB9A 347/4885CYP1A2 892/4885CYP2D6 382/4885

“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.