SCHEMBL30279160

SCHEMBL30279160

COc1cc(N2CC(C)OC(C)C2)ccc1NCC1CCC(N)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ LRRK2 Q5S007 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ DPP4 P27487 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GAK O14976 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 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
SCHEMBL25039943 1.00 PTK2 (0.38) PTK2ACHEBACE1LRRK2SMN1; SMN2
SCHEMBL25041758 0.89 PTK2 (0.39) PTK2ACHEBACE1LRRK2SMN1; SMN2
SCHEMBL13438919 0.87 MAPT (0.38) LRRK2MAPTPTGER4BRD4
SCHEMBL13462989 0.87 MAPT (0.38) LRRK2MAPTPTGER4BRD4
SCHEMBL13462695 0.87 MAPT (0.38) LRRK2MAPTPTGER4BRD4
SCHEMBL30279087 0.87 MAPT (0.38) LRRK2MAPTPTGER4BRD4
SCHEMBL11935237 0.87 MAPT (0.38) LRRK2MAPTPTGER4BRD4
SCHEMBL25039475 0.87 MAPT (0.38) LRRK2MAPTPTGER4BRD4
SCHEMBL25039952 0.85 PTGER4 (0.36) LRRK2DPP4MAPTKDM4ECYP3A4
SCHEMBL13462627 0.85 LRRK2 (0.38) LRRK2MAPTKDM4ECYP3A4

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 4 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

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 PTK2 1242/4885ACHE 4867/4885BACE1 823/4885

“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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