SCHEMBL765638

SCHEMBL765638

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)C4CC4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.48
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.44
P2RX7 Q99572 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PTPN7 P35236 2/20 0.40
DUSP3 P51452 2/20 0.40

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
SCHEMBL13165641 0.94 EPHX2 (0.45) EPHX2ALDH1A1SMN1; SMN2TSHRP2RX7
SCHEMBL13166053 0.91 EPHX2 (0.44) EPHX2ALDH1A1SMN1; SMN2TSHRP2RX7
SCHEMBL10121227 0.89 EPHX2 (0.44) EPHX2ALDH1A1P2RX7L3MBTL1PTPN7
SCHEMBL12238932 0.89 L3MBTL1 (0.43) EPHX2ALDH1A1SMN1; SMN2P2RX7POLB
SCHEMBL756146 0.88 EPHX2 (0.61) EPHX2ALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL13165635 0.88 EPHX2 (0.46) EPHX2ALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL765666 0.88 BDKRB1 (0.43) EPHX2ALDH1A1SMN1; SMN2P2RX7POLB
SCHEMBL12238930 0.87 EPHX2 (0.41) EPHX2ALDH1A1P2RX7POLBL3MBTL1
SCHEMBL764477 0.87 L3MBTL1 (0.41) EPHX2ALDH1A1SMN1; SMN2P2RX7POLB
SCHEMBL12238928 0.86 L3MBTL1 (0.41) EPHX2ALDH1A1SMN1; SMN2P2RX7POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB EPHX2 872/4885ALDH1A1 2920/4885SMN1; SMN2 4189/4885

“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.