SCHEMBL29302102

SCHEMBL29302102

CCCOCCNC(=O)C1OC(CNC(C)C)C(O)C(O)C1O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HOGA1 Q86XE5 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ CA1 P00915 4/20 0.33
▸ CA2 P00918 4/20 0.33
▸ CA9 Q16790 4/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ HSP90B1 P14625 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ ADORA1 P30542 1/20 0.30

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
SCHEMBL29299846 0.89 ADORA3 (0.33) HOGA1MEN1KMT2AADORA3
SCHEMBL29300368 0.84 IDUA (0.36) EPHX2CA1CA2CA9HSP90AA1
SCHEMBL27391516 0.79 HOGA1 (0.35) HOGA1ADORA3
SCHEMBL29300514 0.79 FOLH1 (0.35) EPHX2CA1CA2CA9
SCHEMBL27391612 0.76 ADORA3 (0.31) MEN1KMT2AADORA3
SCHEMBL19784387 0.74 HOGA1 (0.40) HOGA1
SCHEMBL19784354 0.73 HOGA1 (0.41) HOGA1
SCHEMBL21895886 0.73 HOGA1 (0.41) HOGA1
SCHEMBL19784356 0.73 HOGA1 (0.39) HOGA1
SCHEMBL20888674 0.73 HOGA1 (0.39) HOGA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. 2024-07-11 — — US 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-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF NPY1R, NPY2R, NPY4R HOGA1 4034/4885EPHX2 3074/4885CA1 2998/4885

“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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