SCHEMBL29337097

SCHEMBL29337097

N[C@H]1CC[C@H](NC(=O)C23CC4CC(c5ccccc5)(C[C@H](C2)/C4=C/c2ccccc2)C3)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 5/20 0.38
LMNA P02545 2/20 0.36
KDM1A O60341 4/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
HSD11B1 P28845 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 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
POLB P06746 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
SCHEMBL29330230 1.00 SMYD3 (0.38) SMYD3LMNAKDM1AMAOBMAOA
SCHEMBL29326064 0.89 CHRM2 (0.38) LMNAKDM1AMAOBHSD11B1ALDH1A1
SCHEMBL24139785 0.88 LMNA (0.41) SMYD3LMNAKDM1AMAOBMAOA
SCHEMBL29331402 0.88 KDM1A (0.36) SMYD3KDM1AMAOBMAOAHSD11B1
SCHEMBL24139743 0.88 SMYD3 (0.38) SMYD3LMNAKDM1AMAOBMAOA
SCHEMBL29328950 0.87 SMYD3 (0.37) SMYD3LMNAKDM1AMAOBMAOA
SCHEMBL29328908 0.87 SMYD3 (0.37) SMYD3LMNAKDM1AMAOBMAOA
SCHEMBL24139784 0.86 LMNA (0.39) SMYD3LMNAKDM1AMAOBMAOA
SCHEMBL24138729 0.86 LMNA (0.39) SMYD3LMNAKDM1AMAOBMAOA
SCHEMBL29328804 0.86 SMYD3 (0.37) SMYD3LMNAKDM1AMAOBMAOA

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 1144/4885LMNA 3555/4885KDM1A 2593/4885

“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.