SCHEMBL31008908

SCHEMBL31008908

CCN(CC)c1ccc(NCC2CCC(NC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TGFBR1 P36897 1/20 0.44
DRD3 P35462 2/20 0.43
GHSR Q92847 2/20 0.43
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CRHR1 P34998 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
SCHEMBL31205855 0.91 DRD2 (0.41) DRD2MAPTRAB9ANPC1KDM4E
SCHEMBL31205816 0.89 DRD2 (0.40) DRD2MAPTRAB9ANPC1KDM4E
SCHEMBL25039653 0.84 DRD2 (0.49) DRD2TGFBR1DRD3KDM1AMAOB
SCHEMBL2390523 0.84 DRD2 (0.49) DRD2DRD3KDM1AMAOBNAMPT
SCHEMBL25039624 0.84 DRD2 (0.49) DRD2TGFBR1DRD3KDM1AMAOB
SCHEMBL2390531 0.84 DRD2 (0.49) DRD2DRD3KDM1AMAOBNAMPT
SCHEMBL31206080 0.84 DRD2 (0.49) DRD2TGFBR1DRD3KDM1AMAOB
SCHEMBL1849161 0.83 DRD2 (0.56) DRD2DRD3KDM1AMAOBL3MBTL1
SCHEMBL1849163 0.83 DRD2 (0.56) DRD2DRD3KDM1AMAOBL3MBTL1
SCHEMBL31206158 0.83 DRD2 (0.47) DRD2DRD3KDM1AMAOBNAMPT

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
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 CN 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 4708/4885MAPT 2954/4885RAB9A 1575/4885

“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.