SCHEMBL7797268

SCHEMBL7797268

CC(C)CCN1CCC[C@@H](CN2CCCCC2)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.52
ADRA2C P18825 1/20 0.52
ACHE P22303 1/20 0.42
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LSS P48449 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CYP1A2 P05177 1/20 0.33
CCR2 P41597 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL18082542 0.82 BCHE (0.42) ROCK2ROCK1CARM1PRMT6KDM4E
SCHEMBL8372524 0.82 CHRM5 (0.55) CHRM5ADRA2CACHE
SCHEMBL10052290 0.82 CARM1 (0.37) CHRM5ADRA2CACHEROCK2ROCK1
SCHEMBL23206076 0.82 CHRM5 (0.55) CHRM5ADRA2CACHESMN1; SMN2
SCHEMBL10076884 0.82 BCHE (0.42) ROCK2ROCK1CARM1PRMT6KDM4E
SCHEMBL25098463 0.80 CARM1 (0.34) CHRM5ADRA2CROCK2ROCK1CARM1
SCHEMBL10070997 0.80 CHRM5 (0.61) CHRM5ADRA2CACHESMN1; SMN2KDM4E
SCHEMBL22953689 0.80 CHRM5 (0.61) CHRM5ADRA2CACHESMN1; SMN2KDM4E
SCHEMBL10071718 0.80 CHRM5 (0.61) CHRM5ADRA2CACHESMN1; SMN2KDM4E
SCHEMBL13202734 0.80 CHRM5 (0.61) CHRM5ADRA2CACHESMN1; SMN2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879911-B2 2-(4-Fluorophenoxy-N-hydroxyacetamide where the \"oxy\" can also be sulfonyl, sulfamyl or sulfinyl; enzyme inhibitors of the \"lethal factor\" enzyme released by bacillus anthraci that splits an essential peptide needed by mammals for signal transmission; antidotes; biological warfare NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-01 US disclosed
US-20080188565-A1 Hydroxamic acid derivatives of phenoxy-acetic acids and analogs useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC 2008-08-07 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-20080188565-A1 Hydroxamic acid derivatives of phenoxy-acetic acids and analogs useful as therapeutic agents for treating anthrax poisoning ANTXR2, HAAO, PAOX CHRM5 3157/4885ADRA2C 2323/4885ACHE 926/4885

“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.