SCHEMBL5718231

SCHEMBL5718231

COCCC(C(=O)O)N1CCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A2 P23975 6/20 0.40
SLC6A3 Q01959 6/20 0.40
DPP7 Q9UHL4 1/20 0.40
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5718207 1.00 MAPT (0.40) MAPTMAPK1NPSR1L3MBTL1SLC6A4
SCHEMBL5718307 0.85 MAPT (0.42) MAPTMAPK1NPSR1L3MBTL1SLC6A4
SCHEMBL5718303 0.85 MAPT (0.42) MAPTMAPK1NPSR1L3MBTL1SLC6A4
SCHEMBL5718228 0.83 MAPT (0.40) MAPTMAPK1NPSR1L3MBTL1SLC6A4
SCHEMBL5718243 0.83 HSD17B10 (0.47) MAPTMAPK1NPSR1L3MBTL1ALDH1A1
SCHEMBL5718373 0.83 MAPT (0.41) MAPTMAPK1NPSR1L3MBTL1SLC6A4
SCHEMBL5718355 0.80 HRH3 (0.35) MAPTKMT2A
SCHEMBL29519179 0.79 SLC6A3 (0.58) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL18939593 0.78 SLC6A3 (0.57) SLC6A4SLC6A2SLC6A3
SCHEMBL1856262 0.77 SLC6A3 (0.60) SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141560-B2 Alanine 2,6-dialkoxyphenyl ester derivatives as hypnotics AKZO NOBEL N.V. (NL) 2006-11-28 US disclosed
EP-1373188-B1 ALANINE 2,6-DIALKOXYPHENYL ESTER DERIVATIVES AS HYPNOTICS AKZO NOBEL NV (NL) 2006-06-07 EP disclosed
US-20040059109-A1 Alanine 2, 6-dialkoxyphenyl ester derivatives as hypnotics N.V. ORGANON (NL) 2004-03-25 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-20040059109-A1 Alanine 2, 6-dialkoxyphenyl ester derivatives as hypnotics OPRM1, OPRD1, OPRK1 MAPT 3815/4885MAPK1 2206/4885NPSR1 142/4885

“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.