SCHEMBL16801481

SCHEMBL16801481

CC(C)(C)OC(=O)c1ccc(NC23CC4CC(CC(C4)C2)C3)c(N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 1.00
▸ MAPT P10636 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ EPHX2 P34913 9/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PTGER4 P35408 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CNR2 P34972 2/20 0.39
▸ PKM P14618 1/20 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
SCHEMBL30037475 1.00 ALOX15 (1.00) ALOX15MAPTNPSR1EPHX2ALDH1A1
SCHEMBL30792860 0.91 ALOX15 (0.83) ALOX15MAPTNPSR1EPHX2ALDH1A1
SCHEMBL21996630 0.91 ALOX15 (0.83) ALOX15MAPTNPSR1EPHX2ALDH1A1
SCHEMBL16801244 0.88 ALOX15 (0.78) ALOX15MAPTNPSR1EPHX2ALDH1A1
SCHEMBL30734263 0.85 ALOX15 (0.74) ALOX15MAPTNPSR1EPHX2ALDH1A1
SCHEMBL27275609 0.85 ALOX15 (0.74) ALOX15MAPTNPSR1EPHX2ALDH1A1
SCHEMBL23873680 0.83 ALOX15 (0.71) ALOX15MAPTNPSR1EPHX2ALDH1A1
SCHEMBL15320704 0.83 ALOX15 (0.71) ALOX15MAPTNPSR1EPHX2ALDH1A1
SCHEMBL16801352 0.83 ALOX15 (0.71) ALOX15MAPTNPSR1EPHX2ALDH1A1
SCHEMBL22043539 0.82 ALOX15 (0.70) ALOX15MAPTNPSR1EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240156790-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2024-05-16 — — US disclosed
EP-4347605-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS The Trustees of Columbia University in the City of New York (US) 2024-04-10 — — EP disclosed
CN-117677623-A Compounds, compositions and methods for modulating iron death and treating excitotoxic disorders 纽约市哥伦比亚大学理事会 2024-03-08 — — CN disclosed
WO-2022251306-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-12-01 — — WO disclosed
US-11192849-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-12-07 — — US disclosed
EP-3887351-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS The Trustees of Columbia University in the City of New York (US) 2021-10-06 — — EP disclosed
US-20210299107-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2021-09-30 — — US disclosed
US-20210299107-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2021-09-30 — — US disclosed
CN-113286777-A Compounds, compositions and methods for modulating iron death and treating excitotoxic disorders 纽约市哥伦比亚大学理事会 2021-08-20 — — CN disclosed
EP-3791870-A1 MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS The Trustees of Columbia University in the City of New York (US) 2021-03-17 — — EP disclosed
EP-3384908-B1 MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS UNIV COLUMBIA (US) 2020-09-30 — — EP disclosed
WO-2020113028-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-06-04 — — WO disclosed
US-20190292135-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-09-26 — — US disclosed
US-10259775-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-04-16 — — US disclosed
US-20160297748-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2016-10-13 — — US disclosed
US-20160297748-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2016-10-13 — — US disclosed
WO-2015084749-A1 MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-06-11 — — 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 (6 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-10259775-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders AIFM2, GPX1, GPX4 ALOX15 92/4885MAPT 171/4885NPSR1 1251/4885
US-20240156790-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, SLC7A11 ALOX15 286/4885MAPT 91/4885NPSR1 2412/4885
US-20190292135-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 ALOX15 92/4885MAPT 171/4885NPSR1 1251/4885
US-20210299107-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, SLC7A11 ALOX15 286/4885MAPT 91/4885NPSR1 2412/4885
US-20160297748-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 ALOX15 92/4885MAPT 171/4885NPSR1 1251/4885
US-11192849-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders AIFM2, GPX1, GPX4 ALOX15 92/4885MAPT 171/4885NPSR1 1251/4885

“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.

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