SCHEMBL167115

SCHEMBL167115

CN1CCN(C(=O)c2cc(OCc3ccccc3)c(C(=O)O)cc2Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
USP2 O75604 1/20 0.54
NPC1 O15118 3/20 0.54
ALDH1A1 P00352 2/20 0.54
RAB9A P51151 2/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.49
TP53 P04637 2/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 2/20 0.47
MCL1 Q07820 1/20 0.47
HSP90AA1 P07900 1/20 0.46
FOLH1 Q04609 1/20 0.44
PTGER1 P34995 2/20 0.44
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL167413 0.90 HPGD (0.52) HPGDUSP2NPC1ALDH1A1RAB9A
SCHEMBL165483 0.88 LRRK2 (0.54) HPGDUSP2NPC1ALDH1A1RAB9A
SCHEMBL168000 0.87 HTT (0.56) HPGDNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10322800 0.82 HPGD (0.59) HPGDUSP2NPC1ALDH1A1RAB9A
SCHEMBL167929 0.81 LRRK2 (0.68)
SCHEMBL167104 0.81 LRRK2 (0.57) HPGDUSP2NPC1ALDH1A1RAB9A
SCHEMBL167917 0.81 FOLH1 (0.41) HPGDNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7760917 0.81 GAA (0.58) HPGDUSP2NPC1ALDH1A1RAB9A
SCHEMBL168737 0.78 HSD17B10 (0.53) HPGDNPC1ALDH1A1RAB9AGAA
SCHEMBL383618 0.76 FOLH1 (0.58) HPGDNPC1ALDH1A1RAB9ASMN1; 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 HPGD 3234/4885USP2 1681/4885NPC1 1569/4885

“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.