SCHEMBL25041549

SCHEMBL25041549

CCC(C)(C)c1ccc(NC2CCC(=O)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ HRH3 Q9Y5N1 9/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAOB P27338 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT6 Q96LA8 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
SCHEMBL25039618 0.84 EPHX1 (0.44) CNR2NPC1RAB9AMAPK1LMNA
SCHEMBL8859326 0.83 CNR2 (0.43) CNR2MAPK1LMNAHRH3MAPT
SCHEMBL25039454 0.80 CNR2 (0.38) CNR2NPC1RAB9AHRH3MAPT
SCHEMBL25041979 0.80 CNR2 (0.48) CNR2
SCHEMBL25041559 0.78 SPHK1 (0.42) CNR2HRH3MAPTMAOBCARM1
SCHEMBL25041455 0.77 DRD2 (0.36) CNR2DRD2DRD3KCNH2NPC1
SCHEMBL25042037 0.75 MAPT (0.49) NPC1RAB9AMAPK1MAPT
SCHEMBL25041901 0.75 CNR2 (0.39) CNR2DRD2DRD3KCNH2NPC1
SCHEMBL25041904 0.75 CNR2 (0.40) CNR2NPC1RAB9AHRH3MAPT
SCHEMBL25039629 0.73 CNR2 (0.36) CNR2DRD2DRD3KCNH2NPC1

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 CNR2 3207/4885DRD2 4708/4885DRD3 4809/4885

“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.

Send feedback