SCHEMBL29326754

SCHEMBL29326754

NC[C@H]1CC[C@H](NC(=O)C23CC4CC(c5ccccc5)(CC(C2)C4CCCCl)C3)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
LMNA P02545 2/20 0.35
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
SLC6A2 P23975 1/20 0.32
PBK Q96KB5 2/20 0.32
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
TPSAB1 Q15661 1/20 0.30
TPSD1 Q9BZJ3 1/20 0.30
TPSG1 Q9NRR2 1/20 0.30
SMYD3 Q9H7B4 1/20 0.30
BTK Q06187 1/20 0.30
FPR3 P25089 1/20 0.30
FPR2 P25090 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL29341738 0.90 LMNA (0.36) LMNAKDM1AMAOBSMYD3ALDH1A1
SCHEMBL29319863 0.89 CHRM2 (0.33) CHRM2CHRM1CHRM3KDM1AMAOB
SCHEMBL29331261 0.88 CHRM2 (0.38) CHRM2CHRM1CHRM3LMNASLC6A2
SCHEMBL29331204 0.87 CHRM2 (0.39) CHRM2CHRM1CHRM3LMNASLC6A2
SCHEMBL29331203 0.87 CHRM2 (0.40) CHRM2CHRM1CHRM3LMNADRD2
SCHEMBL29331202 0.86 LMNA (0.39) CHRM2CHRM1CHRM3LMNASLC6A2
SCHEMBL29331362 0.86 CHRM2 (0.38) CHRM2CHRM1CHRM3LMNADRD2
SCHEMBL29325353 0.84 SMYD3 (0.37) LMNAKDM1AMAOBSMYD3ALDH1A1
SCHEMBL24139568 0.84 LMNA (0.41) CHRM2CHRM1CHRM3LMNASLC6A2
SCHEMBL29331398 0.84 LMNA (0.38) CHRM2CHRM1CHRM3LMNASLC6A2

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 CHRM2 2158/4885CHRM1 2064/4885CHRM3 1489/4885

“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.