SCHEMBL25635527

SCHEMBL25635527

COC(=O)C(=[N+]=[N-])C(=O)CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL23391830 0.87
SCHEMBL25918508 0.81 CA1 (0.41)
SCHEMBL28746307 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1089752 0.77 CA2 (0.46) CA2ALDH1A1TDP1
SCHEMBL2471546 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL19677667 0.76 EGLN1 (0.38) ALDH1A1
SCHEMBL4976326 0.76 MGAM (0.39) ALDH1A1
SCHEMBL23391871 0.76 MGAM (0.39) ALDH1A1
SCHEMBL2070544 0.76 ALDH1A1 (0.36) CA2ALDH1A1TDP1
SCHEMBL4974583 0.76 ALDH1A1 (0.30) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2023-06-20 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 (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-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 CA2 2318/4885ALDH1A1 1238/4885TDP1 4136/4885
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists HCRTR1, HCRTR2, CRHR1 CA2 2762/4885ALDH1A1 1885/4885TDP1 4317/4885

“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.