SCHEMBL166412

SCHEMBL166412

O=C(O)c1cc(CN2CCOCC2)c(Br)cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.50
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
EGFR P00533 2/20 0.48
HTT P42858 3/20 0.47
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP2A13 Q16696 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MPI P34949 1/20 0.47
SNCA P37840 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ABCB1 P08183 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.45
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL166183 0.96 CCR5 (0.50) CCR5MAPTALDH1A1EGFRHTT
SCHEMBL257157 0.93 CCR5 (0.47) CCR5MAPTALDH1A1EGFRHTT
SCHEMBL15204994 0.92 CCR5 (0.47) CCR5MAPTALDH1A1EGFRHTT
SCHEMBL166797 0.87 CCR5 (0.47) CCR5MAPTALDH1A1EGFRHTT
SCHEMBL167781 0.86 CCR5 (0.50) CCR5MAPTALDH1A1HTTKDM4E
SCHEMBL167180 0.83 PTGER1 (0.45) CCR5MAPTALDH1A1EGFRHTT
SCHEMBL15204854 0.83 LRRK2 (0.61) POLB
SCHEMBL168123 0.80 LRRK2 (0.60) CCR5MAPTHTTKDM4ESMN1; SMN2
SCHEMBL4252390 0.80 CCR5 (0.55) CCR5MAPTALDH1A1EGFRHTT
SCHEMBL165453 0.79 LRRK2 (0.67)

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
US-9365551-B2 2-(benzyloxy) benzamides as LRRK2 kinase inhibitors GLAXO GROUP LIMITED (GB) 2016-06-14 US disclosed
EP-2611772-B1 2-(BENZYLOXY)BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-09-24 EP disclosed
US-20130225584-A1 2-(BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-08-29 US disclosed
EP-2611772-A1 2 - (BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-10 EP disclosed
WO-2012028629-A1 2 - (BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 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-20130225584-A1 2-(BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS LRRK2, PARK7, BRSK2 CCR5 4269/4885MAPT 102/4885ALDH1A1 3544/4885

“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.