SCHEMBL2808437

SCHEMBL2808437

N[C@@]1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2F)CCOC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
PTGS2 P35354 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.35
ALDH1A1 P00352 3/20 0.35
P2RX7 Q99572 2/20 0.35
EPHX2 P34913 1/20 0.35
OPRM1 P35372 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
PTGES O14684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 1/20 0.35
BDKRB1 P46663 1/20 0.35
AKT2 P31751 1/20 0.35
P2RX4 Q99571 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL2809267 1.00 GAA (0.37) GAAPTGS2SIRT2ALDH1A1P2RX7
SCHEMBL2810807 0.90 PTGS2 (0.41) PTGS2SIRT2ALDH1A1P2RX7EPHX2
SCHEMBL185618 0.90 AKT2 (0.39) P2RX7CNR1AKT2
SCHEMBL2804924 0.89 PTGS2 (0.42) GAAPTGS2P2RX7OPRM1TRPV1
SCHEMBL19418562 0.86 BDKRB1 (0.35) P2RX7EPHX2TRPV1CNR1BDKRB1
SCHEMBL2805680 0.86 ALDH1A1 (0.40) GAAALDH1A1P2RX7CTDSP1KMT2A
SCHEMBL186501 0.86 ALDH1A1 (0.40) GAAALDH1A1P2RX7CTDSP1KMT2A
SCHEMBL185956 0.85 SIRT2 (0.36) GAAPTGS2SIRT2ALDH1A1EPHX2
SCHEMBL12319683 0.80 AKT2 (0.40) P2RX7EPHX2BDKRB1AKT2
SCHEMBL2809680 0.80 AKT2 (0.44) P2RX7EPHX2CNR1AKT2

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
EP-2539323-B3 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2017-10-04 EP disclosed
EP-2539323-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2014-12-03 EP 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
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
US-8372838-B2 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
US-8372838-B2 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US 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
US-20120142695-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142695-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
WO-2011104203-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 GAA 4613/4885PTGS2 1095/4885SIRT2 3302/4885
US-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 GAA 1561/4885PTGS2 3027/4885SIRT2 4042/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 GAA 1561/4885PTGS2 3027/4885SIRT2 4042/4885

“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.