SCHEMBL2807605

SCHEMBL2807605

Nc1cc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(F)cc4C(F)(F)F)cn3)CC2)[nH]n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
AURKA O14965 5/20 0.33
TRPA1 O75762 4/20 0.33
P2RX7 Q99572 3/20 0.33
BACE1 P56817 1/20 0.32
BDKRB1 P46663 1/20 0.32
PDPK1 O15530 1/20 0.32
HDAC3 O15379 2/20 0.31
NCOR2 Q9Y618 1/20 0.31
ALOX15 P16050 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CHEK2 O96017 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
FLT4 P35916 1/20 0.31
ABL2 P42684 1/20 0.31
BLK P51451 1/20 0.31
LIMK1 P53667 1/20 0.31

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
SCHEMBL14856622 0.87 P2RX7 (0.32) CNR2AURKATRPA1P2RX7
SCHEMBL186398 0.86 HDAC1 (0.35) CNR2TRPA1P2RX7BACE1BDKRB1
SCHEMBL2809241 0.85 CNR2 (0.35) CNR2AURKATRPA1P2RX7BACE1
SCHEMBL2807987 0.85 BDKRB1 (0.35) CNR2AURKATRPA1P2RX7BACE1
SCHEMBL13128556 0.84 CNR2 (0.35) CNR2AURKATRPA1P2RX7BACE1
SCHEMBL2805842 0.84 GCGR (0.33) CNR2AURKATRPA1P2RX7BACE1
SCHEMBL2812751 0.84 P2RX7 (0.37) CNR2AURKATRPA1P2RX7HDAC3
SCHEMBL13128574 0.83 CNR2 (0.35) CNR2AURKATRPA1P2RX7BACE1
SCHEMBL2805698 0.83 BDKRB1 (0.40) CNR2AURKATRPA1P2RX7BACE1
SCHEMBL2807486 0.83 HDAC3 (0.41) CNR2AURKATRPA1P2RX7BDKRB1

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 882/4885AURKA 3494/4885TRPA1 552/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885AURKA 3494/4885TRPA1 552/4885

“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.