SCHEMBL3028258

SCHEMBL3028258

CCCCOC(=O)N1CCc2ccc([N+](=O)[O-])cc2CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
KMT2A Q03164 8/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 6/20 0.47
NPC1 O15118 1/20 0.44
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
DPP7 Q9UHL4 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
SCHEMBL30130837 0.94 DPP7 (0.48) ALDH1A1SMN1; SMN2LMNAMAPTHRH2
SCHEMBL1295027 0.89 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNAMAPTHRH2
SCHEMBL6097088 0.81 MEN1 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL12563933 0.81 NR1H2 (0.52) ALDH1A1SMN1; SMN2LMNAMAPTHRH2
SCHEMBL18585134 0.80 LMNA (0.47) ALDH1A1SMN1; SMN2LMNAMAPTHRH2
SCHEMBL8301729 0.80 MGLL (0.64) ALDH1A1SMN1; SMN2LMNAMAPTHRH2
SCHEMBL1945831 0.79 TMEM97 (0.56) SMN1; SMN2HRH2HRH1KMT2AMEN1
SCHEMBL6141536 0.79 KMT2A (0.74) ALDH1A1SMN1; SMN2LMNAMAPTHRH2
SCHEMBL27464372 0.79 MAPT (0.79) ALDH1A1SMN1; SMN2LMNAMAPTHRH2
SCHEMBL2306719 0.78 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676781-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 US disclosed
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-09-10 US disclosed
US-9062034-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-23 US disclosed
US-8981076-B2 Synthesis of N-FMOC protected deoxy nucleosides, ribo nucleosides, modified deoxy and ribo nucleosides, and phosphoramidites, and their use in oligonucleotide synthesis CHEMGENES CORPORATION (US) 2015-03-17 US disclosed
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
US-20100216769-A1 SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 US disclosed
EP-1487801-A1 7-ARYLSULFONAMIDO-2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003068751-A1 7-ARYLSULFONAMIDO-2,3,4,5-TETRAHYDRO-1H-BENZO'DIAZEPINE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY FOR THE REATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
EP-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP disclosed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 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 (3 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-20100216769-A1 SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GNMT ALDH1A1 1039/4885SMN1; SMN2 3359/4885LMNA 2509/4885
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 ALDH1A1 871/4885SMN1; SMN2 3286/4885LMNA 2832/4885
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 ALDH1A1 871/4885SMN1; SMN2 3286/4885LMNA 2832/4885

“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.