SCHEMBL25041562

SCHEMBL25041562

CCCc1ccc(NC2CCC(C)(N)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA4 P22748 2/20 0.41
▸ CA5A P35218 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA13 Q8N1Q1 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ MAOB P27338 2/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ LPL P06858 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ EPHX1 P07099 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ SPHK1 Q9NYA1 7/20 0.35
▸ MAOA P21397 1/20 0.34
▸ ROCK2 O75116 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
SCHEMBL25039324 0.80 SPHK1 (0.49) CA2CA12CA1CA4CA5A
SCHEMBL25039640 0.77 EPHX1 (0.39) CA2CA12CA1CA4CA5A
SCHEMBL25041455 0.77 DRD2 (0.36) MAOBKDM1A
SCHEMBL25039411 0.75 EPHX1 (0.39) CA2CA1MAOBKDM1AEPHX1
SCHEMBL25041977 0.75 MAOA (0.39) CA2CA12CA1CA4CA5A
SCHEMBL1902409 0.74 EPHX1 (0.50) EPHX1EPHX2SPHK1ROCK2
SCHEMBL1901575 0.72 EPHX1 (0.56) EPHX1EPHX2SPHK1
SCHEMBL1901347 0.72 EPHX1 (0.56) EPHX1EPHX2SPHK1
SCHEMBL25041408 0.72 RAPGEF4 (0.40) CA2CA12CA1CA9MAOB
SCHEMBL29218639 0.71 EPHX1 (0.41) CA2CA12CA1CA4CA5A

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 CA2 2405/4885CA12 3620/4885CA1 3220/4885

“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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