SCHEMBL29319644

SCHEMBL29319644

N[C@H]1CC[C@H](NC(=S)C23CC4CC(c5ccccc5)(CC(C2)C4C(F)F)C3)CC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
SMYD3 Q9H7B4 1/20 0.34
HSD11B1 P28845 1/20 0.31

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
SCHEMBL29319857 0.89 CHRM2 (0.37) KDM1AMAOB
SCHEMBL29330729 0.87 SMYD3 (0.39) KDM1AMAOBMAOASMYD3HSD11B1
SCHEMBL24139446 0.86 KDM1A (0.41) KDM1AMAOBMAOASMYD3
SCHEMBL29319660 0.85 KDM1A (0.35) KDM1AMAOBMAOASMYD3
SCHEMBL29319677 0.83 KDM1A (0.39) KDM1AMAOBMAOASMYD3
SCHEMBL29319654 0.83 KDM1A (0.36) KDM1AMAOBMAOASMYD3
SCHEMBL24273749 0.83 KDM1A (0.36) KDM1AMAOBMAOASMYD3
SCHEMBL29331403 0.83 KDM1A (0.39) KDM1AMAOBMAOASMYD3
SCHEMBL29319662 0.83 KDM1A (0.39) KDM1AMAOBMAOASMYD3
SCHEMBL29319685 0.82 KDM1A (0.36) KDM1AMAOBMAOASMYD3

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 KDM1A 2593/4885MAOB 3347/4885MAOA 4330/4885

“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.