SCHEMBL785469

SCHEMBL785469

CC(C)(C)OC(=O)CNC1CNC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
EPHX1 P07099 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
EPHX2 P34913 3/20 0.34
PTPRC P08575 2/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
ABCB1 P08183 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL3297927 0.87 KCNH2 (0.47) L3MBTL1EPHX1HRH3ABCB1
SCHEMBL6346898 0.87 KCNH2 (0.47) L3MBTL1EPHX1HRH3ABCB1
SCHEMBL7834809 0.85 HRH3 (0.35) L3MBTL1HRH3EPHX2PTPRCABCB1
SCHEMBL7834806 0.85 HRH3 (0.35) L3MBTL1HRH3EPHX2PTPRCABCB1
SCHEMBL7834802 0.85 HRH3 (0.35) L3MBTL1HRH3EPHX2PTPRCABCB1
SCHEMBL7380787 0.83 EPHX1 (0.38) L3MBTL1EPHX1HRH3EPHX2ABCB1
SCHEMBL5342209 0.83 EPHX1 (0.40) L3MBTL1EPHX1HRH3ABCB1
SCHEMBL570857 0.81 ABCB1 (0.34) L3MBTL1EPHX1HRH3PTPRCABCB1
SCHEMBL11366947 0.80 BTK (0.45) L3MBTL1EPHX1HRH3EPHX2CA2
SCHEMBL7277999 0.80 EPHX1 (0.46) EPHX1HRH3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110117275-A A kind of amino-metadiazine compound and its application in anticancer medicine 杨诚 2019-08-13 CN disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 L3MBTL1 1325/4885EPHX1 995/4885HRH3 9/4885

“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.