SCHEMBL103446

SCHEMBL103446

CCCN(N=O)C(=O)OC1CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.34
▸ CHRM3 P20309 3/20 0.34
▸ BCHE P06276 2/20 0.34
▸ ADRA2A P08913 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ CHRM1 P11229 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CHRM4 P08173 1/20 0.30
▸ CHRM5 P08912 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
SCHEMBL178737 0.82 ADRA2A (0.49) ADRA2AALDH1A1SMN1; SMN2PDE4AADRA1A
SCHEMBL106465 0.77 ALDH1A1 (0.37) ALDH1A1
SCHEMBL102978 0.72 ALDH1A1 (0.38) ALDH1A1TP53
SCHEMBL28340847 0.72 — —
SCHEMBL103495 0.72 L3MBTL1 (0.37) BCHEADRA2AALDH1A1SMN1; SMN2PDE4A
SCHEMBL103096 0.71 BCHE (0.35) CHRM3BCHECHRM1CHRM4CHRM5
SCHEMBL104266 0.70 LMNA (0.36) —
SCHEMBL14759098 0.70 NAAA (0.47) NAAACHRM3BCHEALDH1A1EPHX1
SCHEMBL20927984 0.70 NAAA (0.43) NAAACHRM3BCHEALDH1A1EPHX1
SCHEMBL102980 0.70 CA12 (0.34) ALDH1A1

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-8728442-B2 Method of controlling the growth of microorganisms by a composition containing isolated or in vitro synthesized nitrosoamides BAYER CROPSCIENCE LP (US) 2014-05-20 — — US disclosed
US-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI AGRAQUEST, INC. (US) 2012-03-08 — — 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-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI SPOUT1, ERG28, DDT NAAA 666/4885CHRM3 216/4885BCHE 25/4885

“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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