SCHEMBL12346987

SCHEMBL12346987

COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N3CCN(CCCN4CCCC4)CC3)co2)C2CC2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.42
HRH3 Q9Y5N1 3/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
ADRA2C P18825 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
ELANE P08246 2/20 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
SCHEMBL12346984 0.97 BDKRB1 (0.41) BDKRB1HRH3MEN1KMT2ANR1H4
SCHEMBL12346976 0.96 HRH3 (0.42) BDKRB1HRH3MEN1KMT2ANR1H4
Trifluoroacetic Acid SCHEMBL2237764 0.96 BDKRB1 (0.39) BDKRB1HRH3MEN1KMT2AKCNH2
Trifluoroacetic Acid SCHEMBL2235468 0.93 BDKRB1 (0.38) BDKRB1HRH3MEN1KMT2AKCNH2
SCHEMBL12346983 0.92 BDKRB1 (0.52) BDKRB1
Trifluoroacetic Acid SCHEMBL2236920 0.92 HRH3 (0.39) BDKRB1HRH3MEN1KMT2AKCNH2
SCHEMBL12347046 0.92 BDKRB1 (0.49) BDKRB1
SCHEMBL12346971 0.91 BDKRB1 (0.42) BDKRB1HRH3MEN1KMT2ANR1H4
SCHEMBL2234939 0.90 BDKRB1 (0.51) BDKRB1HRH3LMNAHTR1AADRA2A
SCHEMBL1936815 0.89 BDKRB1 (0.38) BDKRB1HRH3MEN1KMT2ANR1H4

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-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885HRH3 11/4885MEN1 231/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885HRH3 11/4885MEN1 349/4885

“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.