SCHEMBL854095

SCHEMBL854095

CN(C#N)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.53
CTSS P25774 8/20 0.53
CTSB P07858 7/20 0.53
CTSK P43235 7/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
ABCB1 P08183 1/20 0.45

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
SCHEMBL5733968 0.85 ALDH1A1 (0.55) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL16843302 0.83 ALDH1A1 (0.53) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL7509783 0.81 CTSS (0.50) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL6185598 0.81 CTSS (0.50) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL11110649 0.81 ALDH1A1 (0.50) CTSLCTSSCTSBCTSKALDH1A1
Benzyl Dimethylcarbamate SCHEMBL20401678 0.80 ALDH1A1 (0.62) ALDH1A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL7694380 0.80 ALDH1A1 (0.62) ALDH1A1MAPTHPGDMAPK1L3MBTL1
Benzyl Dimethylcarbamate SCHEMBL14031385 0.80 ALDH1A1 (0.62) ALDH1A1MAPTHPGDMAPK1L3MBTL1
Benzyl Dimethylcarbamate SCHEMBL5134244 0.80 ALDH1A1 (0.62) ALDH1A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL6183071 0.80 ALDH1A1 (0.43) CTSLCTSSCTSBCTSKALDH1A1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119101004-B Preparation process of hexazinone 安徽广信农化股份有限公司 2025-03-18 CN disclosed
CN-119101004-A Preparation process of hexazinone 安徽广信农化股份有限公司 2024-12-10 CN disclosed
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed
US-9527840-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-12-27 US disclosed
EP-3101018-A1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma L.P. (US) 2016-12-07 EP disclosed
EP-2433937-B1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof PURDUE PHARMA LP (US) 2016-06-29 EP disclosed
US-20160159785-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2016-06-09 US disclosed
US-9278967-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-03-08 US disclosed
US-9227982-B2 4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrminidinyl compounds for use as tankyrase inhibitors NOVARTIS AG (CH) 2016-01-05 US disclosed
US-9181266-B2 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors NOVARTIS AG (CH) 2015-11-10 US disclosed
EP-2086958-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2009-08-12 EP disclosed
WO-2009027820-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (DE) 2009-03-05 WO disclosed
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 US disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 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 (4 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-20160159785-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 CTSL 3408/4885CTSS 3034/4885CTSB 1469/4885
US-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 CTSL 3065/4885CTSS 2338/4885CTSB 1901/4885
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA CTSL 2747/4885CTSS 1745/4885CTSB 1518/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 CTSL 1512/4885CTSS 3723/4885CTSB 2576/4885

“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.