SCHEMBL674012

SCHEMBL674012

COc1ccc(Nc2ccc(CN)c(F)c2)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
EPHX2 P34913 9/20 0.41
MAPK14 Q16539 5/20 0.41
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL19418577 0.84 STK17A (0.35) CNR2CNR1MAPT
SCHEMBL2807114 0.83 IDO1 (0.43) CNR2CNR1MAPK14
SCHEMBL16404431 0.82 MAPK14 (0.40) MAPK14AKR1C3AKR1C2MEN1GAA
SCHEMBL672517 0.82 KLKB1 (0.44) CNR2CNR1EPHX2MAPK14AKR1C3
SCHEMBL2806555 0.81 IDO1 (0.41) CNR2CNR1GAA
SCHEMBL674869 0.80 DHODH (0.40) CNR2CNR1EPHX2
SCHEMBL184908 0.79 ALDH1A1 (0.42) EPHX2MAPK14GAAMAPT
SCHEMBL673038 0.78 AR (0.49) MAPK14
SCHEMBL185788 0.77 PIK3CA (0.43) CNR2CNR1MAPK14MEN1KMT2A
SCHEMBL2260460 0.77 EPHX2 (0.54) EPHX2

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 9 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
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 CNR2 1936/4885CNR1 1809/4885EPHX2 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.