SCHEMBL166166

SCHEMBL166166

COC(=O)c1cc(CN2CCOCC2)c(Br)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.58
HCRTR2 O43614 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2A13 Q16696 1/20 0.43
HTT P42858 3/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
ADAM17 P78536 1/20 0.41

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
SCHEMBL167736 0.84 CYP2A13 (0.47) HCRTR1HCRTR2KMT2AMEN1CYP2A13
SCHEMBL168496 0.80 HCRTR1 (0.52) HCRTR1HCRTR2SMN1; SMN2KMT2AMEN1
SCHEMBL166409 0.79 CYP2A13 (0.47) HCRTR1HCRTR2KMT2AMEN1CYP2A13
SCHEMBL26628786 0.79 KMT2A (0.55) HCRTR1HCRTR2SMN1; SMN2KMT2AMEN1
SCHEMBL6594333 0.79 SMN1; SMN2 (0.57) HCRTR1HCRTR2SMN1; SMN2KMT2AMEN1
SCHEMBL4906777 0.79 SMN1; SMN2 (0.54) HCRTR1HCRTR2SMN1; SMN2KMT2AMEN1
SCHEMBL28397734 0.79 HCRTR1 (0.59) HCRTR1HCRTR2SMN1; SMN2KMT2AMEN1
SCHEMBL30230296 0.79 HCRTR1 (0.59) HCRTR1HCRTR2SMN1; SMN2KMT2AMEN1
SCHEMBL12726249 0.79 HCRTR1 (0.59) HCRTR1HCRTR2SMN1; SMN2KMT2AMEN1
SCHEMBL5058405 0.77 SMN1; SMN2 (0.55) HCRTR1HCRTR2SMN1; SMN2KMT2AHTT

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.