SCHEMBL2546702

SCHEMBL2546702

O=C(NC1(C(=O)NCc2ccc(Oc3ccc(Br)cc3Cl)cc2)CC1)c1cncnc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.51
MAPT P10636 1/20 0.42
MAPK14 Q16539 2/20 0.41
GSK3B P49841 1/20 0.38
CNR1 P21554 2/20 0.37
PTGER4 P35408 2/20 0.36
CYP3A4 P08684 1/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1B1 P15121 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
PTGER2 P43116 1/20 0.35

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
SCHEMBL10121533 0.91 BDKRB1 (0.53) BDKRB1MAPK14GSK3BCNR1PTGER4
SCHEMBL765617 0.91 BDKRB1 (0.52) BDKRB1MAPK14GSK3BCNR1PTGER4
SCHEMBL765831 0.89 BDKRB1 (0.51) BDKRB1MAPK14GSK3BCNR1PTGER4
SCHEMBL13904099 0.89 BDKRB1 (0.51) BDKRB1MAPK14GSK3BCNR1PTGER4
SCHEMBL12262764 0.89 BDKRB1 (0.55) BDKRB1MAPK14GSK3BCNR1SMN1; SMN2
SCHEMBL13904092 0.89 BDKRB1 (0.51) BDKRB1MAPK14CNR1PTGER4CTSL
SCHEMBL12238924 0.87 BDKRB1 (0.51) BDKRB1MAPK14CNR1PTGER4CYP3A4
SCHEMBL765538 0.87 BDKRB1 (0.58) BDKRB1MAPK14GSK3BCNR1CYP3A4
SCHEMBL765846 0.87 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4CTSLCTSB
SCHEMBL2549218 0.87 BDKRB1 (0.49) BDKRB1MAPK14CNR1PTGER4CTSL

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 7 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
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 1/4885MAPT 3258/4885MAPK14 1751/4885

“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.