SCHEMBL2808448

SCHEMBL2808448

COC(=O)c1ccc(Nc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)nc2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.47
CNR2 P34972 2/20 0.36
EGFR P00533 1/20 0.34
BRAF P15056 1/20 0.34
NOTUM Q6P988 1/20 0.32
PTGER2 P43116 1/20 0.32
CNR1 P21554 1/20 0.32
ABL1 P00519 1/20 0.32
TRPA1 O75762 1/20 0.32
F10 P00742 1/20 0.32
MAPT P10636 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
SCHEMBL184922 0.91 BDKRB1 (0.40) BDKRB1CNR2EGFRBRAFTRPA1
SCHEMBL2804952 0.91 BDKRB1 (0.43) BDKRB1F10
SCHEMBL13128618 0.91 BDKRB1 (0.39) BDKRB1CNR2EGFRBRAFCNR1
SCHEMBL2809229 0.90 BDKRB1 (0.41) BDKRB1CNR2EGFRBRAFCNR1
SCHEMBL2805859 0.90 BDKRB1 (0.41) BDKRB1CNR2CNR1TRPA1
SCHEMBL2806522 0.89 BDKRB1 (0.41) BDKRB1BRAFTRPA1
SCHEMBL2809358 0.88 BDKRB1 (0.40) BDKRB1CNR2EGFRBRAF
SCHEMBL2808761 0.88 BDKRB1 (0.40) BDKRB1CNR2CNR1
SCHEMBL13160124 0.88 BDKRB1 (0.40) BDKRB1CNR2EGFRBRAFCNR1
SCHEMBL2809443 0.88 BDKRB1 (0.41) BDKRB1EGFRBRAFCNR1TRPA1

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 289/4885CNR2 882/4885EGFR 1953/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885CNR2 882/4885EGFR 1953/4885

“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.