SCHEMBL2806989

SCHEMBL2806989

O=C(NC1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CC1)c1cncc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.62
KDM1A O60341 2/20 0.40
HDAC1 Q13547 2/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
USP36 Q9P275 1/20 0.39
NAMPT P43490 5/20 0.39
AURKA O14965 1/20 0.36
MYC P01106 1/20 0.36
MAX P61244 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
SLC22A11 Q9NSA0 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
DDR1 Q08345 1/20 0.36
SCD O00767 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
SCHEMBL2805694 0.89 BDKRB1 (0.54) BDKRB1NAMPTAURKAMYCMAX
SCHEMBL2809021 0.88 ALDH1A1 (0.49) BDKRB1HDAC1NAMPTAURKA
SCHEMBL2807722 0.86 CTSL (0.44) BDKRB1AURKAMYCMAXSCD
SCHEMBL186315 0.84 BDKRB1 (0.45) BDKRB1KDM1AHDAC1AURKAMYC
SCHEMBL2811689 0.83 BDKRB1 (0.45) BDKRB1KDM1AHDAC1AURKAMYC
SCHEMBL2811692 0.83 BDKRB1 (0.45) BDKRB1KDM1AHDAC1AURKAMYC
SCHEMBL2809013 0.83 BDKRB1 (0.44) BDKRB1KDM1AHDAC1AURKAMYC
SCHEMBL2809017 0.83 BDKRB1 (0.44) BDKRB1KDM1AHDAC1AURKAMYC
SCHEMBL2806710 0.81 BDKRB1 (0.46) BDKRB1NAMPTAURKAMYCMAX
SCHEMBL2804934 0.81 BDKRB1 (0.48) BDKRB1SLC22A12

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-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-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 BDKRB1 289/4885KDM1A 3672/4885HDAC1 1428/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885KDM1A 3672/4885HDAC1 1428/4885

“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.