SCHEMBL167413

SCHEMBL167413

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.52
USP2 O75604 1/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 2/20 0.52
GAA P10253 1/20 0.52
POLB P06746 2/20 0.47
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 2/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HTR4 Q13639 1/20 0.43
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 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
SCHEMBL167115 0.90 HPGD (0.54) HPGDUSP2NPC1SMN1; SMN2ALDH1A1
SCHEMBL168737 0.88 HSD17B10 (0.53) HPGDNPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL165483 0.85 LRRK2 (0.54) HPGDUSP2NPC1SMN1; SMN2ALDH1A1
SCHEMBL169355 0.82 DPP4 (0.42) HPGDSMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL165087 0.81 ALDH1A1 (0.57) HPGDNPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL167929 0.79 LRRK2 (0.68)
SCHEMBL167104 0.79 LRRK2 (0.57) HPGDUSP2NPC1SMN1; SMN2ALDH1A1
SCHEMBL7760917 0.78 GAA (0.58) HPGDUSP2NPC1SMN1; SMN2ALDH1A1
SCHEMBL23809724 0.78 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1RAB9APOLBLMNA
SCHEMBL168000 0.78 HTT (0.56) HPGDNPC1SMN1; SMN2ALDH1A1RAB9A

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.