SCHEMBL25042017

SCHEMBL25042017

CC1(C)CCC(c2ccc(NC3CCC(CNC(=O)OC(C)(C)C)CC3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.42
PBK Q96KB5 1/20 0.42
ACACB O00763 6/20 0.42
NPC1L1 Q9UHC9 2/20 0.41
ACACA Q13085 3/20 0.41
NAMPT P43490 1/20 0.40
FPR3 P25089 4/20 0.39
FPR2 P25090 4/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL31206034 0.88 DRD2 (0.44) DRD2PBKACACBNPC1L1ACACA
SCHEMBL31206120 0.86 KDM1A (0.46) DRD2NPC1L1NAMPTALDH1A1
SCHEMBL31206141 0.85 ACACB (0.44) DRD2PBKACACBACACA
SCHEMBL25041510 0.85 ACACB (0.44) DRD2PBKACACBACACA
SCHEMBL25041407 0.84 TDP1 (0.44) FPR3FPR2ALDH1A1
SCHEMBL31206142 0.81 DRD2 (0.47) DRD2PBKACACBACACANAMPT
SCHEMBL31206152 0.81 DRD2 (0.55) DRD2ACACBACACA
SCHEMBL31206107 0.79 ALDH1A1 (0.60) DRD2PBKACACBACACANAMPT
SCHEMBL31206233 0.79 MDM2 (0.49) DRD2PBKACACBACACAALDH1A1
SCHEMBL31206293 0.79 DDB1 (0.46) DRD2NPC1L1NAMPTFPR3FPR2

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 DRD2 4708/4885PBK 4573/4885ACACB 1339/4885

“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.