SCHEMBL3974113

SCHEMBL3974113

CC(C)CN(CCCCO)C(=O)C(N)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SLC7A5 Q01650 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
SCHEMBL19883548 0.77 CA12 (0.42) DPP4CA12CA1CA2CA9
SCHEMBL9537149 0.75 DPP4 (0.41) DPP4CA12CA1CA2CA9
SCHEMBL9537159 0.75 DPP4 (0.41) DPP4CA12CA1CA2CA9
SCHEMBL3974088 0.75 AOC3 (0.40)
Hydrochloric Acid SCHEMBL9439468 0.74 DPP4 (0.40) DPP4CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL9439130 0.74 DPP4 (0.40) DPP4CA12CA1CA2CA9
SCHEMBL3972740 0.73 CA12 (0.36) CA12CA1CA2CA9
SCHEMBL3972397 0.73 MC4R (0.53) SLC7A5
SCHEMBL19981632 0.73 CA12 (0.45) DPP4CA12CA1CA2CA9
SCHEMBL16246930 0.71 CA12 (0.43) CA12CA1CA2CA9

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 DPP4 887/4885CA12 2360/4885CA1 1188/4885

“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.