SCHEMBL10071163

SCHEMBL10071163

COc1ccc(Nc2cnc(CNC(=O)[C@]3(NC(=O)c4cncc(N)c4)CCOC3)c(Cl)c2)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.36
RAF1 P04049 2/20 0.33
EPHX2 P34913 4/20 0.33
P2RX7 Q99572 2/20 0.32
HTT P42858 1/20 0.32
CNR2 P34972 2/20 0.32
DHODH Q02127 2/20 0.31
TNKS O95271 2/20 0.31
TNKS2 Q9H2K2 2/20 0.31
PIK3CA P42336 1/20 0.31
BTK Q06187 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK10 P53779 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
SCHEMBL11906323 1.00 BDKRB1 (0.36) BDKRB1RAF1EPHX2P2RX7HTT
SCHEMBL11906030 0.93 BDKRB1 (0.36) BDKRB1EPHX2P2RX7HTTDHODH
SCHEMBL673233 0.93 BDKRB1 (0.36) BDKRB1EPHX2P2RX7HTTDHODH
SCHEMBL10070596 0.92 BDKRB1 (0.36) BDKRB1RAF1EPHX2P2RX7CNR2
SCHEMBL185952 0.91 BDKRB1 (0.36) BDKRB1RAF1CNR2
SCHEMBL2807036 0.91 BDKRB1 (0.36) BDKRB1RAF1CNR2
SCHEMBL185489 0.91 CNR2 (0.38) BDKRB1P2RX7CNR2
SCHEMBL2806178 0.91 CNR2 (0.38) BDKRB1P2RX7CNR2
SCHEMBL16404400 0.90 BDKRB1 (0.34) BDKRB1P2RX7HTTCNR2TNKS
SCHEMBL10071161 0.90 EPHX2 (0.38) BDKRB1RAF1EPHX2P2RX7

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937073-B2 Disubstituted tetrahydrofuranyl compounds and their use as B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
US-8937073-B2 Disubstituted tetrahydrofuranyl compounds and their use as B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
EP-2606042-B1 DISUBSTITUTED TETRAHYDROFURANYL COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
EP-2606042-B1 DISUBSTITUTED TETRAHYDROFURANYL COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
EP-2606042-A1 DISUBSTITUTED TETRAHYDOFURANYL COMPOUNDS AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2013-06-26 EP disclosed
US-20120208823-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 US disclosed
WO-2012022795-A1 DISUBSTITUTED TETRAHYDOFURANYL COMPOUNDS AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed
WO-2012022795-A1 DISUBSTITUTED TETRAHYDOFURANYL COMPOUNDS AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 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 (1 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-20120208823-A1 New Compounds ABCG2, SDHA, UGT2B7 BDKRB1 2809/4885RAF1 2238/4885EPHX2 2637/4885

“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.