SCHEMBL3971242

SCHEMBL3971242

CCCCN(C(=O)O)C(N)CC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
MAPK1 P28482 1/20 0.36
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
SLC1A3 P43003 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
GRIK1 P39086 3/20 0.34
GRIK2 Q13002 2/20 0.34
EPHX2 P34913 1/20 0.33
ALOX15 P16050 1/20 0.32
AKR1B1 P15121 1/20 0.32
KDM5A P29375 2/20 0.32
KDM4C Q9H3R0 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
SCHEMBL3976742 0.88 SLC1A3 (0.33) CA2CA12CA9MAPK1SLC1A2
SCHEMBL5394308 0.79 SLC1A3 (0.35) SLC1A2SLC1A1SLC1A3
SCHEMBL16197623 0.78 CA12 (0.38) CA1CA2CA12CA9MAPK1
SCHEMBL15212495 0.77 CA1 (0.34) CA1CA2CA12CA9MAPK1
SCHEMBL1758802 0.77 EPHX2 (0.45) CA1CA2CA12CA9MAPK1
SCHEMBL932565 0.76 CA1 (0.36) CA1CA2CA12CA9MAPK1
SCHEMBL1021269 0.74 CA12 (0.35) CA1CA2CA12CA9MAPK1
SCHEMBL8408866 0.74 CA2 (0.39) CA1CA2CA12CA9MAPK1
SCHEMBL15513193 0.73 CA12 (0.38) CA1CA2CA12CA9MAPK1
SCHEMBL10529104 0.73 CA12 (0.42) CA1CA2CA12CA9MAPK1

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-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 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-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE CA1 1188/4885CA2 3827/4885CA12 2360/4885

“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.