SCHEMBL186154

SCHEMBL186154

O=C(NC1(C(=O)NCc2ccc(Nc3ccc(Br)cc3C(F)(F)F)cn2)CC1)c1ccc(O)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
CTSS P25774 3/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
PTK2 Q05397 2/20 0.34
BDKRB1 P46663 1/20 0.34
HDAC6 Q9UBN7 3/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
AR P10275 1/20 0.31
GNRHR P30968 1/20 0.31
EPHX2 P34913 1/20 0.31
FPR2 P25090 1/20 0.31
PTGFR P43088 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HTR1A P08908 1/20 0.30

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
SCHEMBL185963 0.91 FPR2 (0.39) CNR2CTSSCTSLCTSBPTK2
SCHEMBL13128577 0.91 CNR2 (0.36) CNR2CTSSCTSLCTSBPTK2
SCHEMBL185691 0.91 CNR2 (0.38) CNR2CTSSCTSLCTSBPTK2
SCHEMBL186307 0.91 RAB9A (0.40) CNR2CTSLPTK2BDKRB1EPHX2
SCHEMBL186861 0.90 CNR2 (0.37) CNR2CTSSCTSLCTSBPTK2
SCHEMBL2813480 0.90 CNR2 (0.36) CNR2CTSSCTSLCTSBPTK2
SCHEMBL2805326 0.90 CNR2 (0.37) CNR2CTSSCTSLCTSBPTK2
SCHEMBL2806916 0.90 CNR2 (0.37) CNR2CTSSCTSLCTSBPTK2
SCHEMBL186671 0.89 CNR2 (0.37) CNR2CTSSCTSLCTSBPTK2
SCHEMBL186380 0.89 BDKRB1 (0.37) CNR2CTSSCTSLCTSBPTK2

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-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240058-A1 MicroRNA Antisense PNAs, Compositions Comprising the Same, and Methods for Using and Evaluating the Same PANAGENE INC. (KR) 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
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 (3 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 CNR2 882/4885CTSS 1988/4885CTSL 1731/4885
US-20100240058-A1 MicroRNA Antisense PNAs, Compositions Comprising the Same, and Methods for Using and Evaluating the Same RNGTT, RNASE1, NSUN3 CNR2 4853/4885CTSS 940/4885CTSL 2062/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885CTSS 1988/4885CTSL 1731/4885

“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.