SCHEMBL166797

SCHEMBL166797

O=C(OCc1ccccc1)c1cc(Br)c(CN2CCOCC2)cc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.47
MAPT P10636 6/20 0.47
KDM4E B2RXH2 4/20 0.47
HTT P42858 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TRPV4 Q9HBA0 1/20 0.46
ABCB1 P08183 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EGFR P00533 2/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.44
MPI P34949 1/20 0.44
SNCA P37840 1/20 0.44

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
SCHEMBL15204994 0.96 CCR5 (0.47) CCR5MAPTKDM4EHTTNPSR1
SCHEMBL166183 0.92 CCR5 (0.50) CCR5MAPTKDM4EHTTNPSR1
SCHEMBL167389 0.90 CCR5 (0.48) CCR5MAPTKDM4EHTTNPSR1
SCHEMBL166412 0.87 CCR5 (0.50) CCR5MAPTKDM4EHTTNPSR1
SCHEMBL257157 0.84 CCR5 (0.47) CCR5MAPTKDM4EHTTNPSR1
SCHEMBL167781 0.82 CCR5 (0.50) CCR5MAPTKDM4EHTTNPSR1
SCHEMBL168475 0.82 HSD17B10 (0.53) MAPTKDM4EHTTNPSR1ABCB1
SCHEMBL165997 0.81 MAPK14 (0.52) CCR5MAPTKDM4EHTTNPSR1
SCHEMBL168123 0.80 LRRK2 (0.60) CCR5MAPTKDM4EHTTTRPV4
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 102/4885KDM4E 1447/4885

“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.