SCHEMBL184945

SCHEMBL184945

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.43
POLB P06746 3/20 0.41
GAA P10253 2/20 0.41
MTOR P42345 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
THRB P10828 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
AKT2 P31751 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
NAMPT P43490 2/20 0.39
AURKA O14965 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL2805090 0.91 ALDH1A1 (0.43) MT-CO2POLBGAAMTORMEN1
SCHEMBL186501 0.89 ALDH1A1 (0.40) MT-CO2POLBGAAMTORMEN1
SCHEMBL2805680 0.89 ALDH1A1 (0.40) MT-CO2POLBGAAMTORMEN1
SCHEMBL2781755 0.86 POLB (0.40) MT-CO2POLBGAAMEN1KMT2A
SCHEMBL185133 0.85 CNR2 (0.41) POLBMTORALDH1A1KDM4ENPC1
SCHEMBL2810807 0.85 PTGS2 (0.41) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL2811328 0.82 MEN1 (0.40) MEN1KMT2AALDH1A1KDM4EAURKA
SCHEMBL185966 0.82 BDKRB1 (0.40) MT-CO2POLBGAAMEN1KMT2A
SCHEMBL13159658 0.81 GAA (0.39) POLBGAAMEN1KMT2AALDH1A1
SCHEMBL2807722 0.80 CTSL (0.44) MT-CO2POLBGAAMEN1KMT2A

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
CN-102414177-B Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT 2014-07-02 CN 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
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP 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 MT-CO2 1519/4885POLB 3203/4885GAA 1561/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MT-CO2 1519/4885POLB 3203/4885GAA 1561/4885

“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.