SCHEMBL25039716

SCHEMBL25039716

CC(C)C1CCN(c2ncc(Br)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.42
▸ PANK3 Q9H999 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.38
▸ GRM2 Q14416 1/20 0.37
▸ GRM3 Q14832 1/20 0.37
▸ ACACB O00763 5/20 0.37
▸ CXCR3 P49682 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ OPRK1 P41145 2/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ SMO Q99835 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
SCHEMBL24126289 0.84 GPR119 (0.47) ACHEKDM4EACACBOPRK1
SCHEMBL26792099 0.84 ACHE (0.43) ACHEKDM4E
SCHEMBL21876656 0.83 PANK3 (0.38) PANK3KDM4EGRM2GRM3ACACB
SCHEMBL24126291 0.83 SIGMAR1 (0.45) ACHEKDM4E
SCHEMBL12771442 0.83 ACHE (0.45) ACHEPANK3KDM4EACACB
SCHEMBL25041503 0.83 ACHE (0.42) ACHEKDM4EACACB
SCHEMBL19450757 0.83 GPR119 (0.48) ACHEGRM2ACACBNR1H2
SCHEMBL19450729 0.81 OGA (0.47) ACHEKDM4E
SCHEMBL26792093 0.81 ACACB (0.41) ACHEACACBNR1H2
SCHEMBL27051280 0.81 ACACB (0.41) ACHEACACBNR1H2

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 7 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
EP-4384493-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2024-06-19 — — EP disclosed
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 — — CN disclosed
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS SATO PHARMACEUTICAL CO., LTD. (JP) 2023-10-26 — — US disclosed
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS SATO PHARMACEUTICAL CO., LTD. (JP) 2023-10-26 — — US disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 — — WO 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 (2 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 ACHE 4867/4885PANK3 1558/4885KDM4E 3580/4885
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS HPGDS, PTGS1, PTGIS ACHE 3701/4885PANK3 3348/4885KDM4E 2711/4885

“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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