SCHEMBL29327072

SCHEMBL29327072

N[C@H]1CC[C@H](NC(=S)C23CC4CC(C2)CC(c2ccccc2)(C4)C3)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.47
▸ GRIN3B O60391 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47
▸ GRIN3A Q8TCU5 1/20 0.47
▸ HSD11B1 P28845 3/20 0.46
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM1A O60341 3/20 0.40
▸ MAOB P27338 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ SMYD3 Q9H7B4 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ POLB P06746 1/20 0.36

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
SCHEMBL29328299 0.87 LMNA (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24139659 0.86 LMNA (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24139700 0.86 LMNA (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29338021 0.85 KDM1A (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29327046 0.84 KDM1A (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24139446 0.84 KDM1A (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29326982 0.84 KDM1A (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29326902 0.84 KDM1A (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29331424 0.84 MAOB (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24138658 0.83 KDM1A (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 GRIN2D 569/4885GRIN3B 31/4885GRIN1 288/4885

“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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