SCHEMBL29326982

SCHEMBL29326982

N[C@H]1CC[C@H](NC(=S)C23CC4CC(c5ccccc5)(CC(C2)C42CC2)C3)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 9/20 0.38
▸ MAOB P27338 5/20 0.38
▸ MAOA P21397 3/20 0.38
▸ SMYD3 Q9H7B4 4/20 0.36
▸ OPRL1 P41146 1/20 0.32
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ GRIN3A Q8TCU5 1/20 0.32
▸ KDM1B Q8NB78 1/20 0.30
▸ RCOR1 Q9UKL0 1/20 0.30
▸ HSD11B1 P28845 1/20 0.30
▸ ALOX15 P16050 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
SCHEMBL29331424 0.89 MAOB (0.43) KDM1AMAOBMAOASMYD3GRIN2D
SCHEMBL29327046 0.89 KDM1A (0.43) KDM1AMAOBMAOASMYD3OPRL1
SCHEMBL29328322 0.88 CHRM2 (0.38) KDM1AMAOB
SCHEMBL29319610 0.87 KDM1A (0.42) KDM1AMAOBMAOASMYD3OPRL1
SCHEMBL29325228 0.86 SMYD3 (0.41) KDM1AMAOBMAOASMYD3HSD11B1
SCHEMBL29319613 0.84 KDM1A (0.37) KDM1AMAOBMAOASMYD3GRIN2D
SCHEMBL29327072 0.84 GRIN2D (0.47) KDM1AMAOBMAOASMYD3GRIN2D
SCHEMBL29319637 0.83 KDM1A (0.39) KDM1AMAOBMAOASMYD3
SCHEMBL29338021 0.83 KDM1A (0.39) KDM1AMAOBMAOASMYD3GRIN2D
SCHEMBL24139446 0.82 KDM1A (0.41) KDM1AMAOBMAOASMYD3OPRL1

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.

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