SCHEMBL919039

SCHEMBL919039

CC(C)(NCc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
RIPK1 Q13546 1/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
PPIB P23284 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 2/20 0.36

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
SCHEMBL2850028 0.86 RIPK1 (0.49) KMT2AMEN1RIPK1MAPTSMN1; SMN2
SCHEMBL3971356 0.76 SLC6A4 (0.47) KMT2AMEN1HDAC1SMN1; SMN2CYP3A4
SCHEMBL920120 0.75 PPARA (0.41) KMT2AMEN1MAPTKDM4E
SCHEMBL919800 0.74 F2 (0.48) KMT2AMEN1RAB9AF2
SCHEMBL19227135 0.73 CYP2C19 (0.51) KMT2AMEN1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL24965924 0.72 RIPK1 (0.51) KMT2AMEN1RIPK1MAPTSMN1; SMN2
SCHEMBL21605451 0.72 RIPK1 (0.51) KMT2AMEN1RIPK1MAPTSMN1; SMN2
SCHEMBL17161705 0.72 RIPK1 (0.53) KMT2ARIPK1MAPTSMN1; SMN2CYP3A4
SCHEMBL3458542 0.72 RIPK1 (0.45) KMT2AMEN1RIPK1SMN1; SMN2CYP3A4
SCHEMBL21538589 0.71 RIPK1 (0.47) KMT2AMEN1RIPK1MAPTSMN1; 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 21 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-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-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-2201945-A2 Substituted 2-Aminoacetamides and the Use Thereof Purdue Neuroscience Company (US) 2010-06-30 EP disclosed
EP-2201944-A2 Substituted 2-Aminoacetamides and the Use Thereof Purdue Neuroscience Company (US) 2010-06-30 EP disclosed
US-20090240053-A1 Substituted 2-Aminoacetamides and the Use Thereof PURDUE NEUROSCIENCE COMPANY (US) 2009-09-24 US disclosed
US-7541465-B2 Substituted 2-aminoacetamides and the use thereof PURDUE NEUROSCIENCE COMPANY (US) 2009-06-02 US disclosed
US-7393872-B2 Sodium channel blocker compositions and the use thereof EURO-CELTIQUE S.A. (LU) 2008-07-01 US disclosed
US-20060217403-A1 Substituted 2-aminoacetamides and the use thereof PURDUE NEUROSCIENCE COMPANY 2006-09-28 US disclosed
US-7091210-B2 Substituted 2-aminoacetamides and the use thereof PURDUE NEUROSCIENCE COMPANY (US) 2006-08-15 US disclosed
US-20040054005-A1 Sodium channel blocker compositions and the use thereof PURDUE PHARMA L.P. 2004-03-18 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 KMT2A 889/4885MEN1 4823/4885RIPK1 4804/4885
US-20040054005-A1 Sodium channel blocker compositions and the use thereof CACNA1B, CACNB2, CACNA1C KMT2A 4185/4885MEN1 3719/4885RIPK1 4360/4885
US-20130303568-A1 Substituted 2-Aminoacetamides and the Use Thereof SLC1A2, GAP43, SCN2A KMT2A 671/4885MEN1 3675/4885RIPK1 4867/4885
US-20020037926-A1 Sodium channel blocker compositions and the use thereof CACNA1B, CACNB2, CACNA1C KMT2A 4185/4885MEN1 3719/4885RIPK1 4360/4885
US-20020016464-A1 Substituted 2-aminoacetamides and the use thereof SLC1A2, SLC1A1, SCN2A KMT2A 662/4885MEN1 4844/4885RIPK1 4587/4885
US-20030130295-A1 Substituted 2-aminoacetamides and the use thereof SLC1A2, GAP43, SCN2A KMT2A 845/4885MEN1 4788/4885RIPK1 4790/4885
US-20110269785-A1 Substituted 2-Aminoacetamides and the Use Thereof SLC1A2, GAP43, SCN2A KMT2A 671/4885MEN1 3675/4885RIPK1 4867/4885
US-20060217403-A1 Substituted 2-aminoacetamides and the use thereof SLC1A2, GAP43, SCN2A KMT2A 889/4885MEN1 4823/4885RIPK1 4804/4885

“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.