SCHEMBL168496

SCHEMBL168496

COC(=O)c1cc(C(F)(F)F)c(CN2CCOCC2)cc1O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.52
HCRTR2 O43614 1/20 0.52
CNR2 P34972 5/20 0.43
CNR1 P21554 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNJ1 P48048 1/20 0.39
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL168090 0.88 KDM4E (0.44) HCRTR1HCRTR2MEN1KMT2AALOX15
SCHEMBL15846857 0.80 MAPK1 (0.51) HCRTR1HCRTR2CNR2CNR1KMT2A
SCHEMBL168763 0.80 HCRTR1 (0.46) HCRTR1HCRTR2MEN1KMT2ASMN1; SMN2
SCHEMBL166166 0.80 HCRTR1 (0.58) HCRTR1HCRTR2CNR1MEN1KMT2A
SCHEMBL5058405 0.74 SMN1; SMN2 (0.55) HCRTR1HCRTR2KMT2ASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL5054616 0.73 SMN1; SMN2 (0.54) HCRTR1HCRTR2KMT2ASMN1; SMN2MAPK1
SCHEMBL28397734 0.73 HCRTR1 (0.59) HCRTR1HCRTR2CNR2CNR1MEN1
SCHEMBL5216465 0.72 HCRTR1 (0.60) HCRTR1HCRTR2CNR1SMN1; SMN2MAPK1
SCHEMBL1421327 0.72 SMN1; SMN2 (0.55) HCRTR1HCRTR2MEN1KMT2ASMN1; SMN2
SCHEMBL2781032 0.72 SMN1; SMN2 (0.55) HCRTR1HCRTR2MEN1KMT2ASMN1; SMN2

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 3121/4885CNR2 2666/4885

“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.