SCHEMBL2807722

SCHEMBL2807722

O=C(NC1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
BDKRB1 P46663 2/20 0.44
CTSK P43235 1/20 0.43
POLB P06746 2/20 0.43
EPHX2 P34913 4/20 0.42
AURKA O14965 1/20 0.41
MYC P01106 1/20 0.41
MAX P61244 1/20 0.41
MT-CO2 P00403 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SCD O00767 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPARG P37231 2/20 0.40
PTK2 Q05397 1/20 0.40

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
SCHEMBL2809021 0.90 ALDH1A1 (0.49) BDKRB1AURKAMEN1KMT2AALDH1A1
SCHEMBL2805694 0.89 BDKRB1 (0.54) BDKRB1AURKAMYCMAXMEN1
SCHEMBL185966 0.87 BDKRB1 (0.40) BDKRB1POLBAURKAMT-CO2MEN1
SCHEMBL2806989 0.86 BDKRB1 (0.62) BDKRB1AURKAMYCMAXSCD
SCHEMBL2809250 0.85 ALDH1A1 (0.41) BDKRB1POLBAURKAMEN1LMNA
SCHEMBL2813346 0.85 GAA (0.40) BDKRB1POLBAURKAMT-CO2MEN1
SCHEMBL185439 0.85 BDKRB1 (0.40) BDKRB1AURKAMYCMAXMEN1
SCHEMBL13128409 0.85 GRM4 (0.43) BDKRB1EPHX2AURKALMNAKMT2A
SCHEMBL2806172 0.84 POLB (0.43) POLBEPHX2AURKAMEN1KMT2A
SCHEMBL2812077 0.84 CYP2C19 (0.44) BDKRB1POLBMEN1KMT2AALDH1A1

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-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
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 (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 CTSL 1731/4885BDKRB1 289/4885CTSK 1739/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CTSL 1731/4885BDKRB1 289/4885CTSK 1739/4885

“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.