SCHEMBL472195

SCHEMBL472195

O=P(O)(O)CN1CCNCCN(CP(=O)(O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ANPEP P15144 1/20 0.45
ERAP2 Q6P179 1/20 0.45
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 4/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
THRB P10828 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
CXCR4 P61073 2/20 0.33

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
SCHEMBL336114 1.00 MAPT (0.49) MAPTANPEPERAP2CHRM5CHRM3
SCHEMBL336756 0.98 MAPT (0.50) MAPTANPEPERAP2CHRM5CHRM3
SCHEMBL7453394 0.98 MAPT (0.50) MAPTANPEPERAP2CHRM5CHRM3
SCHEMBL8393831 0.95 MAPT (0.49) MAPTANPEPERAP2CHRM5CHRM3
SCHEMBL9041381 0.95 MAPT (0.49) MAPTANPEPERAP2CHRM5CHRM3
Hydrochloric Acid SCHEMBL31341457 0.95 MAPT (0.49) MAPTANPEPERAP2CHRM5CHRM3
SCHEMBL13805262 0.90 CXCR4 (0.44) MAPTANPEPERAP2CHRM5CHRM3
SCHEMBL13805263 0.90 CXCR4 (0.47) MAPTANPEPERAP2CHRM5CHRM3
SCHEMBL16800520 0.87 MAPT (0.47) MAPTANPEPERAP2CHRM5CHRM3
SCHEMBL30811210 0.87 MAPT (0.47) MAPTANPEPERAP2CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399938-A2 Peptide purification by means of hard metal ion affinity chromatography Novo Nordisk A/S (DK) 2011-12-28 EP claimed
EP-2412729-A2 Peptide purification by means of hard metal ion affinity chromatography Novo Nordisk A/S (DK) 2012-02-01 EP disclosed
EP-2399938-A2 Peptide purification by means of hard metal ion affinity chromatography Novo Nordisk A/S (DK) 2011-12-28 EP disclosed
US-20090143529-A1 Peptide purification by means of hard metal ion affinity chromatography HEARN MILTON THOMAS WILLIAM 2009-06-04 US disclosed
US-20090143529-A1 Peptide purification by means of hard metal ion affinity chromatography HEARN MILTON THOMAS WILLIAM 2009-06-04 US disclosed
EP-1689384-A4 COMPLEXES OF CYCLIC POLYAZA CHELATORS WITH CATIONS OF ALKALINE EARTH METALS FOR ENHANCED BIOLOGICAL ACTIVITY CONCAT LP (US) 2009-05-06 EP disclosed
EP-2011501-A1 Compounds with chelation affinity and selectivity for first transition series elements and their use Chelator LLC (US) 2009-01-07 EP disclosed
EP-1261349-B1 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE CHELATOR LLC (US) 2008-09-03 EP disclosed
EP-1758677-A2 PEPTIDE PURIFICATION BY MEANS OF HARD METAL ION AFFINITY CHROMATOGRAPHY NOVO NORDISK A/S (DK) 2007-03-07 EP disclosed
EP-1689384-A1 COMPLEXES OF CYCLIC POLYAZA CHELATORS WITH CATIONS OF ALKALINE EARTH METALS FOR ENHANCED BIOLOGICAL ACTIVITY Concat LP (US) 2006-08-16 EP disclosed
US-6165996-A Compounds with chelation affinity selectivity for first transition series elements: use in medical therapy and diagnosis CONCAT, INC. (US) 2000-12-26 US disclosed
EP-0955044-A2 Method of inhibiting bacterial or fungal growth using a complexing agent CONCAT LTD. (US) 1999-11-10 EP disclosed
US-5874573-A Compounds with chelation affinity and selectivity for first transition series elements: use in medical therapy CONCAT, INC. (US) 1999-02-23 US disclosed
EP-0841951-A2 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS, AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS CONCAT LTD. (US) 1998-05-20 EP disclosed
EP-0717639-A4 POLYAMINO PARAMAGNETIC CHELATES WHICH CONTAIN BOTH PHOSPHONATE AND NON-PHOSPHONATE MOIETIES FOR MRI CONCAT LTD (US) 1998-04-01 EP disclosed
WO-1997001360-A9 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS 1997-07-17 WO disclosed
WO-1997001360-A2 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS CONCAT, LTD. (US) 1997-01-16 WO disclosed
EP-0717639-A1 POLYAMINO PARAMAGNETIC CHELATES WHICH CONTAIN BOTH PHOSPHONATE AND NON-PHOSPHONATE MOIETIES FOR MRI CONCAT LTD. (US) 1996-06-26 EP disclosed
US-5409689-A MRI image enhancement using complexes of paramagnetic cations and amine ligands containing a mixture of phosphonate and non-phosphonate pendant arms CONCAT, LTD. (US) 1995-04-25 US disclosed
WO-1995005118-A1 POLYAMINO PARAMAGNETIC CHELATES WHICH CONTAIN BOTH PHOSPHONATE AND NON-PHOSPHONATE MOIETIES FOR MRI CONCAT LTD. (US) 1995-02-23 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 (1 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-20090143529-A1 Peptide purification by means of hard metal ion affinity chromatography MAX, PTMS, SLC7A1 MAPT 2874/4885ANPEP 7/4885ERAP2 2195/4885

“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.