SCHEMBL2804950

SCHEMBL2804950

O=C(NC1(C(=O)NCc2ccc(Nc3ccc(Br)cc3C(F)(F)F)cn2)CC1)c1cccc(O)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.39
PTK2 Q05397 2/20 0.33
BDKRB1 P46663 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
GRM4 Q14833 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
PTGFR P43088 1/20 0.31
MPO P05164 1/20 0.30
MTOR P42345 1/20 0.30
NAMPT P43490 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
SCHEMBL2809939 0.91 MRGPRX4 (0.37) CNR2GRM4RAB9ATRPV1
SCHEMBL2810180 0.89 CNR2 (0.36) CNR2PTK2BDKRB1NAMPT
SCHEMBL186591 0.87 CNR2 (0.36) CNR2PTK2TRPV1
SCHEMBL186154 0.86 CNR2 (0.37) CNR2PTK2BDKRB1CTSLCTSB
SCHEMBL2805079 0.85 CNR2 (0.39) CNR2PTK2NPC1RAB9AMPO
SCHEMBL2813480 0.85 CNR2 (0.36) CNR2PTK2BDKRB1CTSLCTSB
SCHEMBL2809358 0.84 BDKRB1 (0.40) CNR2PTK2BDKRB1CTSLCTSB
SCHEMBL2807300 0.84 BDKRB1 (0.39) CNR2PTK2BDKRB1CTSLCTSB
SCHEMBL2805326 0.83 CNR2 (0.37) CNR2PTK2BDKRB1CTSLCTSB
SCHEMBL2806884 0.83 CNR2 (0.37) CNR2PTK2BDKRB1CTSLGRM4

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 882/4885PTK2 3921/4885BDKRB1 289/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885PTK2 3921/4885BDKRB1 289/4885

“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.