SCHEMBL18379366

SCHEMBL18379366

Cc1c(O)c(=O)ccn1CCCCC(N)CN

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
KDM4E B2RXH2 2/20 0.47
TP53 P04637 1/20 0.47
CYP2D6 P10635 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM6A O15550 1/20 0.45
KDM4A O75164 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM5C P41229 1/20 0.45
KDM2B Q8NHM5 1/20 0.45
DOHH Q9BU89 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
MAOB P27338 11/20 0.39
COMT P21964 2/20 0.39

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
SCHEMBL18379425 0.84 MAOB (0.46) APPHRH3KDM4ETP53CYP2D6
SCHEMBL10359200 0.83 APP (0.61) APPHRH3KDM4ETP53CYP2D6
SCHEMBL9513592 0.83 APP (0.61) APPHRH3KDM4ETP53CYP2D6
SCHEMBL9974064 0.82 APP (0.49) APPHRH3KDM4ETP53CYP2D6
SCHEMBL30929328 0.82 APP (0.49) APPHRH3KDM4ETP53CYP2D6
SCHEMBL3290957 0.82 APP (0.57) APPHRH3KDM4ETP53CYP2D6
SCHEMBL18379604 0.82 MAOB (0.42) APPHRH3KDM4ETP53CYP2D6
SCHEMBL18379602 0.80 MAOB (0.40) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL8102120 0.79 APP (0.57) APPHRH3KDM4ETP53CYP2D6
SCHEMBL18379599 0.79 MAOB (0.41) APPHRH3KDM4ETP53CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922363-B Ortho-primary diamines, associated with metal and/or radical chelating configurations, and their activity against carbonyl and oxidative stress, and their use 皮卡第儒勒-凡尔纳大学 2022-05-27 CN claimed
EP-3319950-B1 VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF UNIV AMIENS PICARDIE JULES VERNE (FR) 2021-11-03 EP claimed
US-10464920-B2 Vicinal primary diamines associated with metal and/or free radical chelation motifs, and active against carbonyl and oxidative stress, and use thereof INSERM (INSTITUTE NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE (FR) 2019-11-05 US claimed
US-20180201602-A1 VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF UNIVERSITE AMIENS PICARDIE JULES VERNE (FR) 2018-07-19 US claimed
EP-3319950-B1 VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF UNIV AMIENS PICARDIE JULES VERNE (FR) 2021-11-03 EP disclosed
EP-3319950-B1 VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF UNIV AMIENS PICARDIE JULES VERNE (FR) 2021-11-03 EP disclosed
US-10464920-B2 Vicinal primary diamines associated with metal and/or free radical chelation motifs, and active against carbonyl and oxidative stress, and use thereof INSERM (INSTITUTE NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE (FR) 2019-11-05 US disclosed
US-10464920-B2 Vicinal primary diamines associated with metal and/or free radical chelation motifs, and active against carbonyl and oxidative stress, and use thereof INSERM (INSTITUTE NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE (FR) 2019-11-05 US disclosed
US-20180201602-A1 VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF UNIVERSITE AMIENS PICARDIE JULES VERNE (FR) 2018-07-19 US disclosed
US-20180201602-A1 VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF UNIVERSITE AMIENS PICARDIE JULES VERNE (FR) 2018-07-19 US disclosed
US-20180201602-A1 VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF UNIVERSITE AMIENS PICARDIE JULES VERNE (FR) 2018-07-19 US disclosed
WO-2017006048-A1 VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF UNIVERSITE AMIENS PICARDIE JULES VERNE (FR) 2017-01-12 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 (2 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-20180201602-A1 VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF CAT, GPX1, AOC1 APP 1186/4885HRH3 2466/4885KDM4E 767/4885
US-10464920-B2 Vicinal primary diamines associated with metal and/or free radical chelation motifs, and active against carbonyl and oxidative stress, and use thereof CAT, GPX1, AOC1 APP 1186/4885HRH3 2466/4885KDM4E 767/4885

“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.