SCHEMBL25899235

SCHEMBL25899235

COc1ccc2c(c1)CCN(CC1CC1)C2=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.58
AOC3 Q16853 6/20 0.54
ITGB3 P05106 5/20 0.48
ITGA2B P08514 5/20 0.48
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
CYP27A1 Q02318 1/20 0.46
CYP24A1 Q07973 1/20 0.46
DRD2 P14416 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL22725931 0.93 AOC3 (0.64) GRM5AOC3ITGB3ITGA2BPRMT5
SCHEMBL5946719 0.88 PRMT5 (0.52) GRM5AOC3PRMT5WDR77CYP27A1
Hydrochloric Acid SCHEMBL14237067 0.87 ALDH1A1 (0.56) GRM5AOC3
SCHEMBL13201488 0.85 PRMT5 (0.50) AOC3ITGB3ITGA2BPRMT5WDR77
SCHEMBL29438671 0.83 PRMT5 (0.51) AOC3ITGB3ITGA2BPRMT5WDR77
SCHEMBL471627 0.83 PRMT5 (0.51) AOC3ITGB3ITGA2BPRMT5WDR77
SCHEMBL3725254 0.81 ITGB3 (0.54) GRM5ITGB3ITGA2BCYP24A1DRD2
SCHEMBL3655756 0.80 PRMT5 (0.53) AOC3ITGB3ITGA2BPRMT5WDR77
SCHEMBL7125843 0.80 AOC3 (0.53) AOC3ITGB3ITGA2BPRMT5WDR77
SCHEMBL25899238 0.80 GRM5 (0.62) GRM5AOC3ITGB3ITGA2BPRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114195764-B Compound serving as thyroid hormone beta receptor agonist and application thereof 广东东阳光药业股份有限公司 2025-01-17 CN disclosed
US-20240025875-A1 A COMPOUND AS A THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025875-A1 A COMPOUND AS A THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025875-A1 A COMPOUND AS A THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2024-01-25 US disclosed
EP-4215524-A1 COMPOUND SERVING AS THYROID HORMONE BETA RECEPTOR AGONIST AND USES OF COMPOUND Sunshine Lake Pharma Co., Ltd. (CN) 2023-07-26 EP disclosed
EP-4215524-A1 COMPOUND SERVING AS THYROID HORMONE BETA RECEPTOR AGONIST AND USES OF COMPOUND Sunshine Lake Pharma Co., Ltd. (CN) 2023-07-26 EP disclosed
WO-2022057845-A1 COMPOUND SERVING AS THYROID HORMONE β RECEPTOR AGONIST AND USES OF COMPOUND 广东东阳光药业有限公司 2022-03-24 WO disclosed
CN-114195764-A Compound as thyroid hormone beta receptor agonist and application thereof 广东东阳光药业有限公司 2022-03-18 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-20240025875-A1 A COMPOUND AS A THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF THRB, TSHR, THRA GRM5 321/4885AOC3 2826/4885ITGB3 2491/4885

“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.