SCHEMBL29209079

SCHEMBL29209079

COc1nc(N2CCC(C(F)(F)F)CC2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.44
TRPV3 Q8NET8 2/20 0.42
PDE10A Q9Y233 1/20 0.40
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
HTR3A P46098 1/20 0.35
ROCK2 O75116 1/20 0.35
RORC P51449 1/20 0.34
UCHL3 P15374 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
SCHEMBL25204837 0.82 MAP4K4 (0.47) MAP4K4TRPV3PDE10AKDM4EMAPT
SCHEMBL21500109 0.82 MAP4K4 (0.55) MAP4K4HRH3HTR3AROCK2UCHL3
SCHEMBL25191131 0.80 MAP4K4 (0.48) MAP4K4TRPV3PDE10AKDM4EMAPT
SCHEMBL22475332 0.80 MAP4K4 (0.45) MAP4K4PDE10AHRH3HTR3AROCK2
SCHEMBL2412222 0.79 CNR2 (0.43) MAP4K4HTR3AUCHL3
Hydrochloric Acid SCHEMBL6346443 0.78 CNR2 (0.43) MAP4K4HTR3AUCHL3
SCHEMBL2415579 0.78 CNR2 (0.46) MAP4K4MAPTHTR3A
SCHEMBL2414036 0.78 HRH4 (0.47) MAP4K4PDE10AHRH3
SCHEMBL16931347 0.77 HTR3A (0.57) MAP4K4KDM4EHRH3HTR3AUCHL3
Hydrochloric Acid SCHEMBL2420468 0.77 CNR2 (0.45) MAP4K4MAPTHTR3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-03 US disclosed
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 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-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 MAP4K4 2878/4885TRPV3 2737/4885PDE10A 3241/4885

“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.