SCHEMBL25041901

SCHEMBL25041901

CCC(C)(C)c1ccc(NC2CC(N)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HRH3 Q9Y5N1 9/20 0.35
▸ MAOB P27338 6/20 0.35
▸ DRD3 P35462 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ CHRM1 P11229 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
SCHEMBL25041904 0.89 CNR2 (0.40) CNR2MAPTNPC1RAB9AHRH3
SCHEMBL25039454 0.86 CNR2 (0.38) CNR2MAPTNPC1RAB9AHRH3
SCHEMBL25039313 0.84 CNR2 (0.38) CNR2MAPTNPC1RAB9AHRH3
SCHEMBL25039340 0.83 EPHX2 (0.40) CNR2MAPTNPC1RAB9AALDH1A1
SCHEMBL29218861 0.82 CNR2 (0.39) CNR2MAPTNPC1RAB9AHRH3
SCHEMBL25041820 0.82 DRD2 (0.36) CNR2MAPTNPC1RAB9AHRH3
SCHEMBL25041519 0.81 EPHX2 (0.39) CNR2MAPTNPC1RAB9AALDH1A1
SCHEMBL25041872 0.81 EPHX2 (0.39) CNR2MAPTNPC1RAB9AALDH1A1
SCHEMBL30279068 0.81 EPHX2 (0.39) CNR2MAPTNPC1RAB9AALDH1A1
SCHEMBL30279051 0.81 EPHX2 (0.39) CNR2MAPTNPC1RAB9AALDH1A1

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 2 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
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 3207/4885MAPT 2954/4885NPC1 217/4885

“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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