SCHEMBL2546946

SCHEMBL2546946

O=C(NC1(C(=O)NCc2ccc(Oc3ccccc3Cl)cc2F)CC1)c1cncnc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.47
MAPK14 Q16539 1/20 0.41
CNR1 P21554 3/20 0.41
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK8 P45983 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2540993 0.92 BDKRB1 (0.49) BDKRB1MAPK14CNR1ABL1LMNA
SCHEMBL756518 0.91 BDKRB1 (0.39) BDKRB1MAPK14CNR1ABL1TDP1
SCHEMBL765538 0.86 BDKRB1 (0.58) BDKRB1MAPK14CNR1LMNAALDH1A1
SCHEMBL764471 0.86 BDKRB1 (0.43) BDKRB1CNR1
SCHEMBL765633 0.84 BDKRB1 (0.49) BDKRB1CNR1
SCHEMBL12239079 0.84 BDKRB1 (0.44) BDKRB1CNR1
SCHEMBL13191581 0.83 BDKRB1 (0.49) BDKRB1MAPK14CNR1ABL1LMNA
SCHEMBL10121489 0.83 MAPK14 (0.38) BDKRB1MAPK14CNR1ABL1LMNA
SCHEMBL2548440 0.82 CNR1 (0.60) BDKRB1CNR1
SCHEMBL765173 0.82 BDKRB1 (0.43) BDKRB1MAPK14CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 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 (1 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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB BDKRB1 1/4885MAPK14 1751/4885CNR1 72/4885

“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.