SCHEMBL7011297

SCHEMBL7011297

CCCC(N)CC(O)CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
GRIK1 P39086 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
GRIK2 Q13002 1/20 0.35
METAP1 P53582 2/20 0.33
SPHK1 Q9NYA1 2/20 0.33
CYP2D6 P10635 2/20 0.31
LMNA P02545 2/20 0.31
GMNN O75496 1/20 0.31
POLB P06746 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
BLM P54132 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL21374119 1.00 ALDH1A1 (0.38) ALDH1A1GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL28231406 0.88 THRB (0.35) ALDH1A1GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL910640 0.88 THRB (0.40) ALDH1A1GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL18933137 0.85 HTT (0.35) ALDH1A1GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL5432682 0.85 GRIK1 (0.33) ALDH1A1GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL4327877 0.81
SCHEMBL2497497 0.81
SCHEMBL20308918 0.81 SPHK1 (0.47) ALDH1A1SPHK1CYP2D6LMNAGMNN
SCHEMBL16153750 0.80 TSHR (0.38) GRIK1SLC1A3SLC1A2SLC1A1GRIK2
SCHEMBL3096192 0.80 TSHR (0.38) GRIK1SLC1A3SLC1A2SLC1A1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696494-B2 HUMAN IMMUNODEFICIENCY VIRUS ENANTA PHARMACEUTICALS, INC. 2004-02-24 US disclosed
US-6696494-B2 HUMAN IMMUNODEFICIENCY VIRUS ENANTA PHARMACEUTICALS, INC. 2004-02-24 US disclosed
WO-2003034989-A3 α-HYDROXYARYLBUTANAMINE INHIBITORS OF ASPARTYL PROTEASE ENANTA PHARM INC (US) 2003-12-04 WO disclosed
US-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease ENANTA PHARMACEUTICALS, INC. 2003-11-06 US disclosed
US-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease ENANTA PHARMACEUTICALS, INC. 2003-11-06 US disclosed
WO-2003034989-A2 α-HYDROXYARYLBUTANAMINE INHIBITORS OF ASPARTYL PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2003-05-01 WO disclosed
WO-2003034989-A2 α-HYDROXYARYLBUTANAMINE INHIBITORS OF ASPARTYL PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2003-05-01 WO 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-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease DNPEP, ASPH, CTSC ALDH1A1 999/4885GRIK1 2821/4885SLC1A3 2120/4885

“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.