SCHEMBL24864950

SCHEMBL24864950

CN1C(=O)COc2ccc(Nc3ccc(N4CCC(C(F)(F)F)CC4)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GRM4 Q14833 1/20 0.43
SYK P43405 3/20 0.42
HTR1A P08908 3/20 0.38
HTR2C P28335 2/20 0.38
TRPV1 Q8NER1 5/20 0.37
MALT1 Q9UDY8 1/20 0.37
USP30 Q70CQ3 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CNR2 P34972 1/20 0.36
GPR55 Q9Y2T6 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL24865342 0.92 GABRG2 (0.44) GABRG2GABRB3GABRA5GRM4SYK
SCHEMBL31123189 0.92 GABRG2 (0.44) GABRG2GABRB3GABRA5GRM4SYK
SCHEMBL24865392 0.86 HTR1A (0.40) GABRG2GABRB3GABRA5GRM4SYK
SCHEMBL31123284 0.86 HTR1A (0.40) GABRG2GABRB3GABRA5GRM4SYK
SCHEMBL24865680 0.86 HTR1A (0.38) GABRG2GABRB3GABRA5GRM4SYK
SCHEMBL30336317 0.85 HTR1A (0.37) GABRG2GABRB3GABRA5GRM4SYK
SCHEMBL24865554 0.85 HTR1A (0.37) GABRG2GABRB3GABRA5GRM4SYK
SCHEMBL24865168 0.85 HTR1A (0.37) GABRG2GABRB3GABRA5GRM4SYK
SCHEMBL24865628 0.84 HTR1A (0.43) GABRG2GABRB3GABRA5GRM4SYK
SCHEMBL31123354 0.84 HTR1A (0.43) GABRG2GABRB3GABRA5GRM4SYK

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 GABRG2 2615/4885GABRB3 2345/4885GABRA5 3538/4885

“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.