SCHEMBL2810328

SCHEMBL2810328

O=C(N[C@@]1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CCOC1)c1cc(O)cc(O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.37
MT-CO2 P00403 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
MYC P01106 1/20 0.36
MAX P61244 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CXCR2 P25025 1/20 0.34
AURKA O14965 1/20 0.34
CBR1 P16152 1/20 0.34
AKR1C3 P42330 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
SCHEMBL2805620 0.93 HDAC1 (0.41) BDKRB1MT-CO2CTDSP1MYCMAX
SCHEMBL2811689 0.91 BDKRB1 (0.45) BDKRB1MT-CO2CTDSP1MYCMAX
SCHEMBL2811692 0.91 BDKRB1 (0.45) BDKRB1MT-CO2CTDSP1MYCMAX
SCHEMBL2808159 0.88 KCNH2 (0.43) BDKRB1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL2804848 0.88 BDKRB1 (0.38) BDKRB1MT-CO2CTDSP1MYCMAX
SCHEMBL2811096 0.88 NAMPT (0.41) BDKRB1MYCMAXKMT2AMEN1
SCHEMBL2811098 0.88 NAMPT (0.41) BDKRB1MYCMAXKMT2AMEN1
SCHEMBL2805158 0.88 AURKA (0.39) BDKRB1CTDSP1MYCMAXLMNA
SCHEMBL2805157 0.88 AURKA (0.39) BDKRB1CTDSP1MYCMAXLMNA
SCHEMBL13128497 0.87 CTDSP1 (0.36) BDKRB1MT-CO2CTDSP1MYCMAX

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 6 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
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 289/4885MT-CO2 1519/4885CTDSP1 4271/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885MT-CO2 1519/4885CTDSP1 4271/4885

“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.