SCHEMBL25039281

SCHEMBL25039281

CC(C)(C)c1ccc(NCC2CCC(N)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ GAA P10253 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CRHR1 P34998 1/20 0.34
▸ CNR2 P34972 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ GRIN2B Q13224 1/20 0.32

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
SCHEMBL25039655 0.91 CA1 (0.39) CA1CA2GAAEPHX1EPHX2
SCHEMBL11935230 0.91 CA1 (0.39) CA1CA2GAAEPHX1EPHX2
SCHEMBL13438908 0.91 CA1 (0.39) CA1CA2GAAEPHX1EPHX2
SCHEMBL25039266 0.89 CA1 (0.40) CA1CA2GAAEPHX1EPHX2
SCHEMBL25041995 0.85 SLC6A2 (0.39) CA1CA2GAAEPHX1EPHX2
SCHEMBL25039268 0.80 CA1 (0.43) CA1CA2GAAEPHX1EPHX2
SCHEMBL30279113 0.78 CNR2 (0.37) GAAHRH3CNR2RAB9A
SCHEMBL25041882 0.78 CNR2 (0.37) GAAHRH3CNR2RAB9A
SCHEMBL22680866 0.75 CNR2 (0.47) CA1CA2GAAEPHX1EPHX2
SCHEMBL13439172 0.75 LIPC (0.46) CA1CA2CRHR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 — — US disclosed
EP-4384493-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2024-06-19 — — EP disclosed
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 — — CN disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 — — WO disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 — — 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 (1 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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 CA1 3220/4885CA2 2405/4885GAA 771/4885

“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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