SCHEMBL919803

SCHEMBL919803

CC(C)(NCc1ccc(Oc2ncccn2)cc1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
APAF1 O14727 1/20 0.43
LMNA P02545 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 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
SCHEMBL920846 0.84 MAPK14 (0.47) LMNARAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL920087 0.81 ALDH1A1 (0.48) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL918991 0.81 MAPK14 (0.50) SMN1; SMN2NPC1MAPTHTTALDH1A1
SCHEMBL15377800 0.80 MAPK14 (0.42) LMNASMN1; SMN2HTTKDM4EOPRM1
SCHEMBL919163 0.80 SCN9A (0.47) GAA
SCHEMBL919807 0.80 CYP2C19 (0.47) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL8626757 0.77 OPRM1 (0.48) OPRM1OPRD1OPRK1P2RX3
SCHEMBL919293 0.76 SCN9A (0.42)
SCHEMBL4377085 0.76 NAMPT (0.52) MEN1KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL919046 0.75 MMP13 (0.49) MEN1KMT2ARAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303568-A1 Substituted 2-Aminoacetamides and the Use Thereof PURDUE NEUROSCIENCE COMPANY (US) 2013-11-14 US claimed
US-20090240053-A1 Substituted 2-Aminoacetamides and the Use Thereof PURDUE NEUROSCIENCE COMPANY (US) 2009-09-24 US claimed
US-20060217403-A1 Substituted 2-aminoacetamides and the use thereof PURDUE NEUROSCIENCE COMPANY 2006-09-28 US claimed
EP-1032377-A4 SUBSTITUTED 2-AMINOACETAMIDES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2006-06-14 EP claimed
US-20030130295-A1 Substituted 2-aminoacetamides and the use thereof EURO-CELTIQUE S.A. 2003-07-10 US claimed
US-6500825-B2 SODIUM CHANNEL BLOCKERS USED TO TREAT AMYOTROPHIC LATERAL SCLEROSIS; ANALGESICS, ANTICONVULSANTS, ANTIDEPRESSANTS, LOCAL ANESTHETICS AND ANTIARRHYTHMICS EURO-CELTIQUE S.A. (LU) 2002-12-31 US claimed
US-20020016464-A1 Substituted 2-aminoacetamides and the use thereof EURO-CELTIQUE S.A. 2002-02-07 US claimed
EP-1032377-A1 SUBSTITUTED 2-AMINOACETAMIDES AND THE USE THEREOF Euro-Celtique S.A. (LU) 2000-09-06 EP claimed
US-20130303568-A1 Substituted 2-Aminoacetamides and the Use Thereof PURDUE NEUROSCIENCE COMPANY (US) 2013-11-14 US disclosed
US-8426431-B2 Substituted 2-aminoacetamides and the use thereof PURDUE NEUROSCIENCE COMPANY (US) 2013-04-23 US disclosed
US-20110269785-A1 Substituted 2-Aminoacetamides and the Use Thereof PURDUE NEUROSCIENCE COMPANY (US) 2011-11-03 US disclosed
US-7872127-B2 Substituted 2-aminoacetamides and the use thereof PURDUE NEUROSCIENCE COMPANY (US) 2011-01-18 US disclosed
EP-2201944-A2 Substituted 2-Aminoacetamides and the Use Thereof Purdue Neuroscience Company (US) 2010-06-30 EP disclosed
EP-2201945-A2 Substituted 2-Aminoacetamides and the Use Thereof Purdue Neuroscience Company (US) 2010-06-30 EP disclosed
US-6479484-B1 SUBSTITUTED 2-AMINOACETAMIDES AND THE DISCOVERY THAT THESE COMPOUNDS ACT AS BLOCKERS OF SODIUM CHANNELS; PAIN RELIEVERS, TREATMENT OF ARRYTHMIA, LOCAL ANESTHETICS EURO-CELTIQUE S.A. (LU) 2002-11-12 US disclosed
US-20020037926-A1 Sodium channel blocker compositions and the use thereof PURDUE PHARMA LTD. 2002-03-28 US disclosed
WO-2000061188-A9 SODIUM CHANNEL BLOCKER COMPOSITIONS AND THE USE THEREOF EURO CELTIQUE SA (LU) 2002-02-14 WO disclosed
US-20020016464-A1 Substituted 2-aminoacetamides and the use thereof EURO-CELTIQUE S.A. 2002-02-07 US disclosed
EP-1169060-A1 SODIUM CHANNEL BLOCKER COMPOSITIONS AND THE USE THEREOF Euro-Celtique S.A. (LU) 2002-01-09 EP disclosed
WO-2000061188-A1 SODIUM CHANNEL BLOCKER COMPOSITIONS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2000-10-19 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 (7 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-20090240053-A1 Substituted 2-Aminoacetamides and the Use Thereof SLC1A2, GAP43, SCN2A MEN1 4823/4885KMT2A 889/4885APAF1 1582/4885
US-20130303568-A1 Substituted 2-Aminoacetamides and the Use Thereof SLC1A2, GAP43, SCN2A MEN1 3675/4885KMT2A 671/4885APAF1 2102/4885
US-20020037926-A1 Sodium channel blocker compositions and the use thereof CACNA1B, CACNB2, CACNA1C MEN1 3719/4885KMT2A 4185/4885APAF1 3924/4885
US-20020016464-A1 Substituted 2-aminoacetamides and the use thereof SLC1A2, SLC1A1, SCN2A MEN1 4844/4885KMT2A 662/4885APAF1 1086/4885
US-20030130295-A1 Substituted 2-aminoacetamides and the use thereof SLC1A2, GAP43, SCN2A MEN1 4788/4885KMT2A 845/4885APAF1 1466/4885
US-20110269785-A1 Substituted 2-Aminoacetamides and the Use Thereof SLC1A2, GAP43, SCN2A MEN1 3675/4885KMT2A 671/4885APAF1 2102/4885
US-20060217403-A1 Substituted 2-aminoacetamides and the use thereof SLC1A2, GAP43, SCN2A MEN1 4823/4885KMT2A 889/4885APAF1 1582/4885

“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.