SCHEMBL185122

SCHEMBL185122

Nc1ncc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(Cl)cc4C(F)(F)F)cn3)CC2)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.38
CNR2 P34972 7/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
BDKRB1 P46663 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
NTRK1 P04629 1/20 0.33
P2RX7 Q99572 1/20 0.33
BACE1 P56817 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CTSL P07711 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
CTSK P43235 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2809030 0.90 CNR2 (0.39) DDR1CNR2CYP1A2CYP2D6CYP2C19
SCHEMBL185785 0.89 EPHX2 (0.41) DDR1CNR2CYP1A2CYP2D6CYP2C19
SCHEMBL186117 0.88 BDKRB1 (0.39) DDR1CNR2CYP1A2CYP2D6CYP2C19
SCHEMBL2810010 0.88 RAB9A (0.39) DDR1CNR2CYP1A2CYP2D6CYP2C19
SCHEMBL186019 0.87 BDKRB1 (0.40) DDR1CNR2CYP1A2CYP2D6CYP2C19
SCHEMBL13128552 0.87 CNR2 (0.39) DDR1CNR2CYP1A2CYP2D6CYP2C19
SCHEMBL186307 0.86 RAB9A (0.40) CNR2CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL2808761 0.86 BDKRB1 (0.40) CNR2CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL2808185 0.85 RAB9A (0.37) DDR1CNR2CYP1A2CYP2D6CYP2C19
SCHEMBL186523 0.85 RAB9A (0.39) CNR2CYP1A2CYP2D6CYP2C19RAB9A

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 DDR1 1861/4885CNR2 882/4885CYP1A2 892/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 DDR1 1861/4885CNR2 882/4885CYP1A2 892/4885

“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.