SCHEMBL6399583

SCHEMBL6399583

CCOC(=O)C=C(N)[C@H](C)[C@H](C)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
ALOX15 P16050 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
SOAT1 P35610 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CAD P27708 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
SCHEMBL6399581 1.00 NPSR1 (0.44) NPSR1ALOX15HCAR2ALDH1A1MAPT
SCHEMBL4454382 1.00 NPSR1 (0.44) NPSR1ALOX15HCAR2ALDH1A1MAPT
SCHEMBL4446758 0.86 NPSR1 (0.42) NPSR1ALOX15HCAR2ALDH1A1MAPT
SCHEMBL6504169 0.86 NPSR1 (0.42) NPSR1ALOX15HCAR2ALDH1A1MAPT
SCHEMBL6504174 0.86 NPSR1 (0.42) NPSR1ALOX15HCAR2ALDH1A1MAPT
SCHEMBL6504164 0.86 NPSR1 (0.42) NPSR1ALOX15HCAR2ALDH1A1MAPT
SCHEMBL4446753 0.86 NPSR1 (0.42) NPSR1ALOX15HCAR2ALDH1A1MAPT
SCHEMBL4446761 0.86 NPSR1 (0.42) NPSR1ALOX15HCAR2ALDH1A1MAPT
SCHEMBL2647184 0.81 NPSR1 (0.50) NPSR1ALOX15HCAR2ALDH1A1MAPT
SCHEMBL2647130 0.81 NPSR1 (0.50) NPSR1ALOX15HCAR2ALDH1A1MAPT

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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 NPSR1 580/4885ALOX15 4381/4885HCAR2 766/4885

“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.