SCHEMBL2810740

SCHEMBL2810740

Cc1ncc(C(=O)NC2(C(=O)NCc3ncc(Nc4c(F)cccc4C(F)(F)F)cc3F)CC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.37
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
NTRK1 P04629 1/20 0.34
JAK1 P23458 2/20 0.33
JAK3 P52333 2/20 0.33
PTGS2 P35354 1/20 0.33
JAK2 O60674 1/20 0.32
MAPT P10636 1/20 0.32
HDAC3 O15379 4/20 0.32
HDAC1 Q13547 4/20 0.32
HDAC2 Q92769 4/20 0.32
HDAC6 Q9UBN7 4/20 0.32
PSMB11 A5LHX3 1/20 0.32
PSMA7 O14818 1/20 0.32
PSMB1 P20618 1/20 0.32
PSMA1 P25786 1/20 0.32
PSMA2 P25787 1/20 0.32
PSMA3 P25788 1/20 0.32
PSMA4 P25789 1/20 0.32

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
SCHEMBL2808286 0.92 BDKRB1 (0.36) BDKRB1CNR1CNR2JAK1JAK3
SCHEMBL2805192 0.91 BDKRB1 (0.39) BDKRB1CNR1CNR2
SCHEMBL2806879 0.91 BDKRB1 (0.41) BDKRB1CNR1CNR2NTRK1JAK1
SCHEMBL2806933 0.90 BDKRB1 (0.42) BDKRB1CNR1CNR2JAK1JAK3
SCHEMBL2807818 0.89 PTGS2 (0.39) BDKRB1CNR1CNR2NTRK1JAK1
SCHEMBL185944 0.88 FAAH (0.36) BDKRB1CNR1CNR2NTRK1JAK1
SCHEMBL2807315 0.88 CNR1 (0.36) BDKRB1CNR1CNR2JAK1JAK3
SCHEMBL186700 0.88 BDKRB1 (0.42) BDKRB1CNR1CNR2NTRK1JAK1
SCHEMBL2805268 0.87 BDKRB1 (0.35) BDKRB1CNR1CNR2JAK1JAK3
SCHEMBL2811676 0.87 BDKRB1 (0.40) BDKRB1CNR1CNR2JAK1JAK3

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 BDKRB1 289/4885CNR1 211/4885CNR2 882/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885CNR1 211/4885CNR2 882/4885

“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.