SCHEMBL185916

SCHEMBL185916

Cc1cncc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(F)cc4C(F)(F)F)cn3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.41
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.34
TRPA1 O75762 3/20 0.33
NTRK1 P04629 1/20 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
ACKR3 P25106 2/20 0.33
PTK2 Q05397 1/20 0.33
HCRTR2 O43614 2/20 0.32
HCRTR1 O43613 1/20 0.32
AURKA O14965 2/20 0.32
SSTR5 P35346 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL185792 0.92 BDKRB1 (0.40) BDKRB1CNR1CNR2P2RX7PTK2
SCHEMBL186065 0.91 BDKRB1 (0.41) BDKRB1CNR2TRPA1NTRK1HDAC3
SCHEMBL186319 0.91 BDKRB1 (0.49) BDKRB1CNR2TRPA1HDAC3HDAC1
SCHEMBL186464 0.91 BDKRB1 (0.40) BDKRB1CNR1CNR2TRPA1HDAC3
SCHEMBL2805698 0.91 BDKRB1 (0.40) BDKRB1CNR2TRPA1HDAC3HDAC1
SCHEMBL185794 0.91 BDKRB1 (0.40) BDKRB1CNR1CNR2HDAC3HDAC1
SCHEMBL2805859 0.90 BDKRB1 (0.41) BDKRB1CNR1CNR2TRPA1HDAC3
SCHEMBL186565 0.90 BDKRB1 (0.40) BDKRB1CNR2TRPA1NTRK1HDAC3
SCHEMBL186854 0.90 BDKRB1 (0.43) BDKRB1CNR1PTK2
SCHEMBL2811921 0.90 HDAC3 (0.38) BDKRB1CNR2TRPA1NTRK1HDAC3

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 289/4885CNR1 211/4885CNR2 882/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885CNR1 211/4885CNR2 882/4885

“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.