SCHEMBL12199030

SCHEMBL12199030

COC(=O)[C@H](Cc1c[nH]cn1)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
TACR1 P25103 1/20 0.31
SIRT2 Q8IXJ6 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
SCHEMBL14324686 1.00 MAPK1 (0.33) MAPK1HTTALDH1A1GAATACR1
Hydrochloric Acid SCHEMBL8183614 0.99 ALDH1A1 (0.33) MAPK1HTTALDH1A1GAATACR1
SCHEMBL9847303 0.87 SIRT2 (0.31) SIRT2
SCHEMBL17610495 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL198654 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL24329940 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL198655 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7327907 0.82 MMP13 (0.36) ALDH1A1TACR1
Water SCHEMBL28484737 0.82 ALDH1A1 (0.33) ALDH1A1
Hydrochloric Acid SCHEMBL28132975 0.82 ALDH1A1 (0.35) ALDH1A1GAA

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-20250115557-A1 TOTAL SYNTHESES OF SELENONEINE, ISO-SELENONEINE, AND ISOMERS UNIVERSITé LAVAL (CA) 2025-04-10 US disclosed
WO-2023155006-A1 TOTAL SYNTHESES OF SELENONEINE, ISO-SELENONEINE, AND ISOMERS UNIVERSITé LAVAL (CA) 2023-08-24 WO disclosed
EP-2371421-A1 Ligands of insulin degrading enzyme and their uses Université de Lille 2 Droit et Santé (FR) 2011-10-05 EP 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-20250115557-A1 TOTAL SYNTHESES OF SELENONEINE, ISO-SELENONEINE, AND ISOMERS SCLY, SELENOI, SRM MAPK1 2923/4885HTT 1203/4885ALDH1A1 2839/4885

“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.