SCHEMBL2806884

SCHEMBL2806884

O=C(NC1(C(=O)NCc2ccc(Nc3ccc(Br)cc3C(F)(F)F)cn2)CC1)c1cncs1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
AR P10275 5/20 0.34
CNR1 P21554 1/20 0.33
BDKRB1 P46663 1/20 0.33
GRM4 Q14833 1/20 0.33
KMT2A Q03164 2/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PTK2 Q05397 1/20 0.31
NAMPT P43490 1/20 0.31
FPR2 P25090 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
OPRM1 P35372 1/20 0.30
CTSL P07711 1/20 0.30
CTSK P43235 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
SCHEMBL13128555 0.90 KMT2A (0.39) CNR2ARCNR1GRM4KMT2A
SCHEMBL185287 0.88 CNR2 (0.34) CNR2BDKRB1HTR1ADRD2DRD4
SCHEMBL2809358 0.88 BDKRB1 (0.40) CNR2BDKRB1PTK2NAMPTFPR2
SCHEMBL2805079 0.87 CNR2 (0.39) CNR2KMT2AHTR1ADRD2DRD4
SCHEMBL2807300 0.86 BDKRB1 (0.39) CNR2CNR1BDKRB1PTK2NAMPT
SCHEMBL2805326 0.85 CNR2 (0.37) CNR2BDKRB1HTR1ADRD2DRD4
SCHEMBL2806916 0.85 CNR2 (0.37) CNR2CNR1BDKRB1KMT2AHTR1A
SCHEMBL2809621 0.85 BDKRB1 (0.39) CNR2BDKRB1PTK2NAMPTNPC1
SCHEMBL186154 0.85 CNR2 (0.37) CNR2ARBDKRB1HTR1ADRD2
SCHEMBL13128577 0.84 CNR2 (0.36) CNR2ARBDKRB1PTK2CTSL

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 CNR2 882/4885AR 1452/4885CNR1 211/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885AR 1452/4885CNR1 211/4885

“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.