SCHEMBL5650127

SCHEMBL5650127

CCOC(=O)c1cccc(CCBr)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.71
CYP4A11 Q02928 3/20 0.71
MEP1B Q16820 1/20 0.58
MAPT P10636 2/20 0.53
CA2 P00918 2/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL17563119 0.91 CYP4F2 (0.76) CYP4F2CYP4A11MEP1BMAPTCA2
SCHEMBL12035616 0.87 CYP4F2 (0.75) CYP4F2CYP4A11MEP1BMAPTCA2
SCHEMBL4508966 0.87 CYP4F2 (0.66) CYP4F2CYP4A11MEP1BMAPTCA2
SCHEMBL9454406 0.86 CYP4F2 (0.73) CYP4F2CYP4A11MEP1BMAPTCA2
SCHEMBL12523791 0.86 CYP4F2 (0.83) CYP4F2CYP4A11MEP1BMAPTCA2
SCHEMBL129801 0.85 CYP4F2 (0.71) CYP4F2CYP4A11MEP1BMAPTCA2
SCHEMBL27475621 0.85 CYP4F2 (0.54) CYP4F2CYP4A11MEP1BMAPTRAB9A
SCHEMBL321524 0.84 CYP4F2 (0.71) CYP4F2CYP4A11MEP1BMAPTCA2
SCHEMBL5544912 0.84 CYP4F2 (0.71) CYP4F2CYP4A11MEP1BMAPTCA2
SCHEMBL1793142 0.84 CYP4F2 (0.81) CYP4F2CYP4A11MEP1BMAPTCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104016979-A Substituted cyclic compound as well as use method and application thereof GUANGDONG HEC PHARMACEUTICAL 2014-09-03 CN disclosed
US-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
CN-1863793-A Cyclic tertiary amine compound SANKYO CO (JP) 2006-11-15 CN disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP disclosed
EP-0683781-B1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE METABASIS THERAPEUTICS INC (US) 2004-04-21 EP disclosed
US-5731432-A Inhibitors of adenosine monophosphate deaminase GENSIA SICOR INC. (US) 1998-03-24 US disclosed
WO-1994018200-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA, INC. (US) 1994-08-18 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-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 CYP4F2 1436/4885CYP4A11 588/4885MEP1B 1427/4885

“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.