SCHEMBL765547

SCHEMBL765547

CNC(=O)CCC(=O)NC1(C(=O)NCc2ccc(Oc3ccc(OC)cc3C(F)(F)F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
PTPN7 P35236 2/20 0.39
DUSP3 P51452 2/20 0.39
EPHX2 P34913 6/20 0.39
KMT2A Q03164 1/20 0.38
P2RX7 Q99572 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.37
BDKRB1 P46663 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL765557 0.94 L3MBTL1 (0.40) L3MBTL1PTPN7DUSP3EPHX2P2RX7
SCHEMBL765833 0.93 L3MBTL1 (0.40) L3MBTL1PTPN7DUSP3EPHX2KMT2A
SCHEMBL764478 0.93 PPARA (0.41) L3MBTL1PTPN7DUSP3EPHX2KMT2A
SCHEMBL764439 0.93 L3MBTL1 (0.40) L3MBTL1PTPN7DUSP3EPHX2KMT2A
SCHEMBL765102 0.92 L3MBTL1 (0.39) L3MBTL1PTPN7DUSP3EPHX2KMT2A
SCHEMBL764502 0.90 L3MBTL1 (0.38) L3MBTL1PTPN7DUSP3EPHX2KMT2A
SCHEMBL764479 0.90 CNR1 (0.41) L3MBTL1PTPN7DUSP3EPHX2
SCHEMBL764477 0.90 L3MBTL1 (0.41) L3MBTL1PTPN7DUSP3EPHX2P2RX7
SCHEMBL10121227 0.90 EPHX2 (0.44) L3MBTL1PTPN7DUSP3EPHX2P2RX7
SCHEMBL10121546 0.89 L3MBTL1 (0.39) L3MBTL1PTPN7DUSP3EPHX2KMT2A

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 4 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
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
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 L3MBTL1 2516/4885PTPN7 4300/4885DUSP3 4571/4885

“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.