SCHEMBL529463

SCHEMBL529463

CCOC(=O)c1nnc(NC(=O)OC(C)(C)C)o1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.46
TP53 P04637 1/20 0.42
CTSK P43235 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MPI P34949 1/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.35
ABCB1 P08183 1/20 0.35
LCK P06239 1/20 0.35
ATR Q13535 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL12455893 0.81 TSHR (0.39) CTSKCA1CA2HTTALDH1A1
SCHEMBL12455892 0.81 ALDH1A1 (0.40) CTSKCA1CA2HTTALDH1A1
SCHEMBL12491653 0.78 NLRP3 (0.49) NLRP3TP53CA1ALDH1A1TSHR
SCHEMBL1936439 0.78 HTT (0.44) TP53CTSKMPIHTTALDH1A1
Lithium Ion SCHEMBL29782166 0.78 CA1 (0.37) CTSKCA1CA2HTTALDH1A1
SCHEMBL19914427 0.77 NLRP3 (0.53) NLRP3CA1CA2MPIHTT
SCHEMBL13326525 0.77 EPHX2 (0.42) TP53CA1CA2HTTALDH1A1
SCHEMBL17079404 0.76 HTT (0.60) TP53HTTALDH1A1TSHRHSD17B10
SCHEMBL1213834 0.76 CTSK (0.51) TP53CTSKCA1CA2HTT
SCHEMBL21906144 0.74 ALDH1A1 (0.38) TP53ALDH1A1ABCB1LCKALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
EP-4041229-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 EP disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 WO disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 WO disclosed
US-10233178-B2 Arylcyclopropylamine based demethylase inhibitors of LSD1 and their medical use ORYZON GENOMICS, S.A. (ES) 2019-03-19 US disclosed
US-10233178-B2 Arylcyclopropylamine based demethylase inhibitors of LSD1 and their medical use ORYZON GENOMICS, S.A. (ES) 2019-03-19 US disclosed
EP-3375775-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE Oryzon Genomics, S.A. (ES) 2018-09-19 EP disclosed
US-20180127406-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE ORYZON GENOMICS SA (ES) 2018-05-10 US disclosed
US-20180127406-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE ORYZON GENOMICS SA (ES) 2018-05-10 US disclosed
US-20180127406-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE ORYZON GENOMICS SA (ES) 2018-05-10 US disclosed
US-9181198-B2 Arylcyclopropylamine based demethylase inhibitors of LSD1 and their medical use ORYZON GENOMICS S.A. (ES) 2015-11-10 US disclosed
US-9181198-B2 Arylcyclopropylamine based demethylase inhibitors of LSD1 and their medical use ORYZON GENOMICS S.A. (ES) 2015-11-10 US disclosed
US-9181198-B2 Arylcyclopropylamine based demethylase inhibitors of LSD1 and their medical use ORYZON GENOMICS S.A. (ES) 2015-11-10 US disclosed
US-20130231342-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE Oryzon Fenomics S.A. (ES) 2013-09-05 US disclosed
US-20130231342-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE Oryzon Fenomics S.A. (ES) 2013-09-05 US disclosed
US-20130231342-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE Oryzon Fenomics S.A. (ES) 2013-09-05 US disclosed
EP-2598482-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE Oryzon Genomics, S.A. (ES) 2013-06-05 EP disclosed
WO-2012013728-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE ORYZON GENOMICS S.A. (ES) 2012-02-02 WO disclosed
WO-2012013728-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE ORYZON GENOMICS S.A. (ES) 2012-02-02 WO disclosed
WO-2010144338-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2010-12-16 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 (4 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-10233178-B2 Arylcyclopropylamine based demethylase inhibitors of LSD1 and their medical use KDM6A, KDM1B, KDM1A NLRP3 2950/4885TP53 3411/4885CTSK 2590/4885
US-20180127406-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE KDM6A, KDM1B, KDM1A NLRP3 2950/4885TP53 3411/4885CTSK 2590/4885
US-20130231342-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE KDM6A, KDM1B, KDM1A NLRP3 2950/4885TP53 3411/4885CTSK 2590/4885
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 NLRP3 1750/4885TP53 4230/4885CTSK 1422/4885

“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.