SCHEMBL3967181

SCHEMBL3967181

CC(C(=O)O)N1CCN(C(C)C(=O)O)CCN(C(C)C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
KCNH2 Q12809 3/20 0.35
HRH3 Q9Y5N1 3/20 0.35
CYP2D6 P10635 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL13223389 1.00 SLC6A9 (0.40) SLC6A9TP53RAB9AKDM4EMEN1
SCHEMBL1133814 1.00
SCHEMBL1165366 1.00 SLC6A9 (0.40) SLC6A9TP53RAB9AKDM4EMEN1
SCHEMBL14100030 1.00 SLC6A9 (0.40) SLC6A9TP53RAB9AKDM4EMEN1
SCHEMBL7744888 1.00 SLC6A9 (0.40) SLC6A9TP53RAB9AKDM4EMEN1
SCHEMBL24220960 1.00 SLC6A9 (0.40) SLC6A9TP53RAB9AKDM4EMEN1
SCHEMBL7539880 0.92 KDM4E (0.39) SLC6A9TP53RAB9AKDM4EMEN1
SCHEMBL14511367 0.92 KDM4E (0.39) SLC6A9TP53RAB9AKDM4EMEN1
Propane SCHEMBL11849460 0.92 KDM4E (0.39) SLC6A9TP53RAB9AKDM4EMEN1
SCHEMBL1785534 0.92 ALDH1A1 (0.41) SLC6A9KDM4EMEN1KMT2AALDH1A1

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-5874573-A Compounds with chelation affinity and selectivity for first transition series elements: use in medical therapy CONCAT, INC. (US) 1999-02-23 US claimed
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
US-20050112066-A1 Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity CONCAT LP, A CALIFORNIA LIMITED PARTNERSHIP (US) 2005-05-26 US disclosed
US-6881732-B2 Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements CHELATOR LLC (US) 2005-04-19 US disclosed
EP-1382332-A1 Method for inhibiting bacterial or fungal growth using a polyamine derivative as complexing agent Chelator LLC (US) 2004-01-21 EP disclosed
US-20040006055-A1 Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements CONCAT, LTD. A CALIFORNIA LIMITED PARTNERSHIP (US) 2004-01-08 US disclosed
WO-2003105827-A1 NEUROPROTECTION AND CARDIOPROTECTION AFFORDED BY CHELATORS WITH HIGH AFFINITY AND SPECIFICITY FOR CATIONS OF FIRST TRANSITION SERIES ELEMENTS CONCAT, LTD. (US) 2003-12-24 WO disclosed
US-6583182-B1 Atomic numbers 21-30 are components of enzymes required for nucleic acid replication; substituted polyaza compounds inhibit cell replication by decreaseing bioavailability of iron or copper CHELATOR LLC 2003-06-24 US disclosed
US-6469162-B1 SUCH COMPOUNDS INHIBIT MAMMALIAN, BACTERIAL, AND FUNGAL CELL REPLICATION AND ARE USEFUL IN THE TREATMENT OF NEOPLASIA, INFECTION, INFLAMMATION, IMMUNE REPONSE, AND IN TERMINATION OF PREGNANCY CONCAT, LTD. 2002-10-22 US disclosed
US-20010041170-A1 Compounds with chelation affinity and selectivity for first transition series elements and their use in cosmetics and personal care products, inhibition of metalloenzymes, and inhibition of reperfusion injury CHELATOR LLC 2001-11-15 US disclosed
US-6288224-B1 Preparation of n-arylmethyl aziridine derivatives, 1,4,7,10-tetraazacyclododecane derivatives obtained therefrom and n-arylethyl-ethanolamine sulphonate esters as intermediates NYCOMED SALUTAR, INC. 2001-09-11 US disclosed
US-6264966-B1 DEODORANTS; THERAPY FOR ORAL DISEASES CONCAT, LTD. 2001-07-24 US 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
US-6048979-A CYCLOTETRAMERIZING, CLEAVAGE OF ARYLMETHYL GROUPS TO PREPARE CYCLEN AND DERIVATIVES NYCOMED SALUTAR, INC. (US) 2000-04-11 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
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

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-20010041170-A1 Compounds with chelation affinity and selectivity for first transition series elements and their use in cosmetics and personal care products, inhibition of metalloenzymes, and inhibition of reperfusion injury MPO, LPO, SOD1 SLC6A9 2699/4885TP53 2069/4885RAB9A 3533/4885
US-20040006055-A1 Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements SOD1, SLC39A11, SLC40A1 SLC6A9 1342/4885TP53 3281/4885RAB9A 3507/4885
US-20050112066-A1 Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity SLC39A14, CHIA, CA2 SLC6A9 2180/4885TP53 2792/4885RAB9A 3468/4885

“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.