SCHEMBL20386751

SCHEMBL20386751

NCC(N)C(=O)N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
CHKA P35790 1/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNB3 Q05901 1/20 0.39
CHRNA6 Q15825 1/20 0.39
DPP7 Q9UHL4 7/20 0.39
DPP4 P27487 3/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
HSD11B1 P28845 1/20 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
SCHEMBL22248848 1.00 CA2 (0.42) CA2CA12CA1CA9CHKA
SCHEMBL14850861 1.00 CA2 (0.42) CA2CA12CA1CA9CHKA
SCHEMBL902043 0.89 DPP7 (0.40) CA2CA12CA1CA9CHKA
SCHEMBL14850782 0.85 DPP7 (0.44) DPP7DPP4DPP8DPP9
SCHEMBL14843027 0.85 DPP7 (0.44) DPP7DPP4DPP8DPP9
SCHEMBL6820644 0.85 DPP7 (0.56) CA2CA12CA1CA9CHKA
SCHEMBL6823435 0.85 DPP7 (0.56) CA2CA12CA1CA9CHKA
SCHEMBL6465790 0.84 CA2 (0.42) CA2CA12CA1CA9CHKA
SCHEMBL10842135 0.84 CA2 (0.42) CA2CA12CA1CA9CHKA
SCHEMBL5166906 0.82 CA2 (0.41) CA2CA12CA1CA9CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 CA2 395/4885CA12 990/4885CA1 636/4885
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 CA2 395/4885CA12 990/4885CA1 636/4885

“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.