SCHEMBL29330475

SCHEMBL29330475

N[C@H]1CC[C@H](NC(=O)C23CC4CC(c5ccccc5)(CC(C2)C4CCF)C3)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 6/20 0.38
KDM1A O60341 3/20 0.38
MAOB P27338 3/20 0.38
LMNA P02545 2/20 0.38
MAOA P21397 1/20 0.38
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL29338614 0.93 SMYD3 (0.39) SMYD3KDM1AMAOBLMNAMAOA
SCHEMBL29325353 0.91 SMYD3 (0.37) SMYD3KDM1AMAOBLMNAMAOA
SCHEMBL24138748 0.91 LMNA (0.39) SMYD3KDM1AMAOBLMNAMAOA
SCHEMBL29338656 0.90 LMNA (0.36) SMYD3KDM1AMAOBLMNAMAOA
SCHEMBL29330733 0.90 LMNA (0.36) SMYD3KDM1AMAOBLMNAMAOA
SCHEMBL24139061 0.90 LMNA (0.37) SMYD3KDM1AMAOBLMNAMAOA
SCHEMBL29341738 0.89 LMNA (0.36) SMYD3KDM1AMAOBLMNAMAOA
SCHEMBL29330148 0.89 LMNA (0.38) SMYD3KDM1AMAOBLMNAMAOA
SCHEMBL24273836 0.88 LMNA (0.41) SMYD3KDM1AMAOBLMNAMAOA
SCHEMBL24139690 0.88 LMNA (0.41) SMYD3KDM1AMAOBLMNAMAOA

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-20240238265-A1 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2024-07-18 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-20240238265-A1 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION IFNAR1, NR4A3, NR0B2 SMYD3 1144/4885KDM1A 2593/4885MAOB 3347/4885

“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.