SCHEMBL186047

SCHEMBL186047

COc1ccc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(Cl)cc4C(F)(F)F)cn3)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
PABPC1 P11940 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 3/20 0.40
POLB P06746 1/20 0.39
CNR2 P34972 3/20 0.38
RECQL P46063 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.37
LIPE Q05469 2/20 0.37
P2RX3 P56373 1/20 0.37
BDKRB1 P46663 1/20 0.37
MAPK8 P45983 1/20 0.36
FLT4 P35916 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL186380 0.91 BDKRB1 (0.37) MEN1USP2PABPC1KMT2AEPHX2
SCHEMBL2806105 0.91 CNR2 (0.39) CNR2CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL186523 0.90 RAB9A (0.39) EPHX2CNR2CYP1A2CYP2D6CYP2C19
SCHEMBL185549 0.89 CYP1A2 (0.39) CNR2CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL186307 0.89 RAB9A (0.40) EPHX2CNR2CYP1A2CYP2D6CYP2C19
SCHEMBL185846 0.89 CYP1A2 (0.38) EPHX2CNR2CYP1A2CYP2D6CYP2C19
SCHEMBL185785 0.89 EPHX2 (0.41) EPHX2CNR2CYP1A2CYP2D6CYP2C19
SCHEMBL13128552 0.88 CNR2 (0.39) CNR2CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL185851 0.88 BRAF (0.38) CNR2CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL2810010 0.88 RAB9A (0.39) CNR2CYP1A2CYP2D6CYP2C19RAB9A

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 10 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
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
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
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 MEN1 314/4885USP2 4803/4885PABPC1 3669/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MEN1 314/4885USP2 4803/4885PABPC1 3669/4885

“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.