SCHEMBL25041455

SCHEMBL25041455

CCC(C)(C)c1ccc(NC2CCC(C)(N)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MAOB P27338 4/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HRH3 Q9Y5N1 7/20 0.34
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ CCR5 P51681 1/20 0.32
▸ POLB P06746 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
SCHEMBL25039411 0.85 EPHX1 (0.39) MAOBCNR2KDM1AMAPTRAB9A
SCHEMBL25039629 0.85 CNR2 (0.36) DRD2DRD3KCNH2MAOBCNR2
SCHEMBL29218611 0.83 HRH3 (0.36) CNR2MAPTALDH1A1HRH3
SCHEMBL25039454 0.81 CNR2 (0.38) MAOBCNR2KDM1ANPC1MAPT
SCHEMBL8859326 0.80 CNR2 (0.43) MAOBCNR2MAPTALDH1A1TDP1
SCHEMBL29218840 0.80 MAPT (0.36) CNR2NPC1MAPTRAB9AALDH1A1
SCHEMBL25041979 0.78 CNR2 (0.48) CNR2
SCHEMBL25041562 0.77 CA2 (0.41) MAOBKDM1A
SCHEMBL25041549 0.77 CNR2 (0.38) DRD2DRD3KCNH2MAOBCNR2
SCHEMBL25041901 0.76 CNR2 (0.39) DRD2DRD3KCNH2MAOBCNR2

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 DRD2 4708/4885DRD3 4809/4885KCNH2 4703/4885

“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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