SCHEMBL921429

SCHEMBL921429

CC(C)(NCc1ccc(OCc2ccc3c(c2)OCO3)cc1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
CYP3A4 P08684 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGER4 P35408 1/20 0.46
HSD17B10 Q99714 1/20 0.45
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
MAOB P27338 1/20 0.44
AR P10275 1/20 0.44
MAPT P10636 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
SCHEMBL918642 0.86 MMP1 (0.50) NPC1RAB9ACYP3A4SMN1; SMN2HPGD
SCHEMBL3971405 0.77 NPC1 (0.56) NPC1RAB9AMAOB
SCHEMBL3064569 0.77 MAOB (0.58) MAOB
SCHEMBL3967573 0.77 PARP15 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1MMP2
SCHEMBL3969644 0.77 MAOB (0.57) MAOB
SCHEMBL1067948 0.77 MAOB (0.65) MAOB
SCHEMBL5972565 0.77 NPC1 (0.45) NPC1RAB9ACYP3A4SMN1; SMN2HPGD
SCHEMBL10878729 0.74 RAB9A (0.65) NPC1RAB9ACYP3A4SMN1; SMN2HPGD
SCHEMBL25568056 0.74 NPC1 (0.83) NPC1RAB9ACYP3A4SMN1; SMN2HPGD
SCHEMBL920177 0.74 SCN3A (0.65) ALDH1A1MAOB

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 31 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
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-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 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
EP-2201945-B1 Use of substituted 2-aminoacetamides for treating or ameliorating anxiety PURDUE NEUROSCIENCE COMPANY (US) 2013-03-06 EP disclosed
EP-2201944-B1 Use of substituted 2-aminoacetamides for treating, preventing or ameliorating manic depression PURDUE NEUROSCIENCE COMPANY (US) 2012-05-23 EP 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-1032377-B1 SUBSTITUTED 2-AMINOACETAMIDES AND THE USE THEREOF PURDUE NEUROSCIENCE COMPANY (US) 2010-11-17 EP disclosed
US-20030130295-A1 Substituted 2-aminoacetamides and the use thereof EURO-CELTIQUE S.A. 2003-07-10 US disclosed
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 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
US-20020016464-A1 Substituted 2-aminoacetamides and the use thereof EURO-CELTIQUE S.A. 2002-02-07 US disclosed
EP-1032377-A1 SUBSTITUTED 2-AMINOACETAMIDES AND THE USE THEREOF Euro-Celtique S.A. (LU) 2000-09-06 EP disclosed
WO-1999026614-A1 SUBSTITUTED 2-AMINOACETAMIDES AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 1999-06-03 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 (5 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-20130303568-A1 Substituted 2-Aminoacetamides and the Use Thereof SLC1A2, GAP43, SCN2A NPC1 3146/4885RAB9A 2643/4885CYP3A4 772/4885
US-20020037926-A1 Sodium channel blocker compositions and the use thereof CACNA1B, CACNB2, CACNA1C NPC1 978/4885RAB9A 2550/4885CYP3A4 1339/4885
US-20020016464-A1 Substituted 2-aminoacetamides and the use thereof SLC1A2, SLC1A1, SCN2A NPC1 3014/4885RAB9A 2765/4885CYP3A4 2066/4885
US-20030130295-A1 Substituted 2-aminoacetamides and the use thereof SLC1A2, GAP43, SCN2A NPC1 3232/4885RAB9A 3400/4885CYP3A4 710/4885
US-20110269785-A1 Substituted 2-Aminoacetamides and the Use Thereof SLC1A2, GAP43, SCN2A NPC1 3146/4885RAB9A 2643/4885CYP3A4 772/4885

“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.