SCHEMBL2806710

SCHEMBL2806710

O=C(N[C@@]1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CCOC1)c1cncnc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.46
MYC P01106 1/20 0.37
MAX P61244 1/20 0.37
SCD O00767 6/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
AURKA O14965 1/20 0.35
PTK2 Q05397 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NAMPT P43490 3/20 0.35
TRPV1 Q8NER1 1/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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 0.91 BDKRB1 (0.54) BDKRB1MYCMAXSCDAURKA
SCHEMBL2804848 0.91 BDKRB1 (0.38) BDKRB1MYCMAXSCDCTDSP1
SCHEMBL2811096 0.91 NAMPT (0.41) BDKRB1MYCMAXAURKANAMPT
SCHEMBL2811098 0.91 NAMPT (0.41) BDKRB1MYCMAXAURKANAMPT
SCHEMBL2811689 0.90 BDKRB1 (0.45) BDKRB1MYCMAXSCDCTDSP1
SCHEMBL2811692 0.90 BDKRB1 (0.45) BDKRB1MYCMAXSCDCTDSP1
SCHEMBL2809623 0.90 BDKRB1 (0.39) BDKRB1MYCMAXSCDCTDSP1
SCHEMBL2809013 0.90 BDKRB1 (0.44) BDKRB1MYCMAXSCDCTDSP1
SCHEMBL2809017 0.90 BDKRB1 (0.44) BDKRB1MYCMAXSCDCTDSP1
SCHEMBL2813417 0.89 BDKRB1 (0.41) BDKRB1AURKAPTK2ALDH1A1

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 289/4885MYC 4605/4885MAX 3525/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885MYC 4605/4885MAX 3525/4885

“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.