SCHEMBL168763

SCHEMBL168763

COC(=O)c1cc(C(F)(F)F)c(CN2CCOCC2)cc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
APP P05067 1/20 0.44
HPGD P15428 1/20 0.44
KDR P35968 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
PTGER1 P34995 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
EGFR P00533 1/20 0.42
ABL1 P00519 1/20 0.42

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
SCHEMBL166446 0.90 MEN1 (0.52) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL167180 0.90 PTGER1 (0.45) SMN1; SMN2MAPTKDM4ELMNAALDH1A1
SCHEMBL167899 0.83 MET (0.54) SMN1; SMN2MAPTALDH1A1PTGER1ABL1
SCHEMBL165468 0.82 LRRK2 (0.59) SMN1; SMN2MAPTKDM4EPTGER1HTT
SCHEMBL257184 0.81 LRRK2 (0.64) KCNH2
SCHEMBL167994 0.81 LRRK2 (0.60)
SCHEMBL166061 0.80 HRH3 (0.51) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL168496 0.80 HCRTR1 (0.52) HCRTR1HCRTR2SMN1; SMN2MAPK1MEN1
SCHEMBL15754634 0.78 HSD17B10 (0.53) HCRTR1HCRTR2SMN1; SMN2MAPTKDM4E
SCHEMBL4256638 0.78 HSD17B10 (0.53) SMN1; SMN2MAPTKDM4ELMNAMAPK1

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 HCRTR1 4213/4885HCRTR2 3121/4885SMN1; SMN2 603/4885

“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.