SCHEMBL5499404

SCHEMBL5499404

O=C(NN1CCCC1C(=O)O)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PREP P48147 3/20 0.47
FAP Q12884 2/20 0.47
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ACE P12821 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
GFER P55789 1/20 0.45

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
SCHEMBL2400667 0.85 HTT (0.53) DPP4ALDH1A1SMN1; SMN2ACEHTT
SCHEMBL27695426 0.85 HTT (0.53) DPP4ALDH1A1SMN1; SMN2ACEHTT
SCHEMBL28715490 0.83 SMN1; SMN2 (0.51) TSHRMAPK1NPSR1PREPFAP
SCHEMBL27449952 0.83 PREP (0.48) TSHRMAPK1NPSR1PREPFAP
SCHEMBL2226530 0.77 ALDH1A1 (0.66) PREPFAPDPP4DPP8DPP9
SCHEMBL4893223 0.77 ALDH1A1 (0.66) PREPFAPDPP4DPP8DPP9
SCHEMBL6860849 0.75 ALDH1A1 (0.50) PREPFAPDPP4DPP8DPP9
SCHEMBL2218785 0.75 HTT (0.51) PREPFAPDPP4ACEHTT
SCHEMBL29634427 0.75 HTT (0.63) TSHRMAPK1NPSR1HDAC1HDAC6
SCHEMBL21675408 0.74 ALDH1A1 (0.46) ALDH1A1ACEHTTGAA

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-20070128145-A1 Amino acid adducts for percutaneous delivery of vitamin B3 THE PROCTER & GAMBLE COMPANY 2007-06-07 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-20070128145-A1 Amino acid adducts for percutaneous delivery of vitamin B3 SLC1A5, SLC19A1, PLPBP TSHR 4281/4885MAPK1 3514/4885NPSR1 1637/4885

“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.