SCHEMBL5963356

SCHEMBL5963356

COc1ccc(C2=C(C)C3(CCCCC3)N(C)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGS2 P35354 2/20 0.42
HTT P42858 1/20 0.40
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40
MAPK1 P28482 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
BACE1 P56817 1/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL5963677 0.83 PTGS2 (0.39) ALDH1A1PTGS2KDM4EHTR1A
SCHEMBL5963367 0.82 GRIN1 (0.41) GRIN1GRIN2AGRIN2BALDH1A1HPGD
SCHEMBL5963594 0.70 PDE7A (0.46) ALDH1A1HPGDTDP1PTGS2HTT
SCHEMBL5964447 0.65 PTGS2 (0.36) ALDH1A1PTGS2KDM4EHTR7MAPT
SCHEMBL5963426 0.65 SLC6A2 (0.36) PTGS2NR1H2NR1H3
SCHEMBL20340396 0.65 OPRM1 (0.49) GRIN1GRIN2AGRIN2BALDH1A1HPGD
SCHEMBL18961737 0.65 ALDH1A1 (0.52) GRIN1GRIN2AGRIN2BALDH1A1HPGD
SCHEMBL20340427 0.64 ALDH1A1 (0.45) GRIN1GRIN2AGRIN2BALDH1A1HPGD
SCHEMBL190640 0.64 ALDH1A1 (0.55) GRIN1GRIN2AGRIN2BALDH1A1HPGD
SCHEMBL10424199 0.63 ME2 (0.69) TDP1PTGS2ME2ME1ME3

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-7125840-B2 Substituted dipeptides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 2006-10-24 US disclosed
EP-1326851-B1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2004-06-30 EP disclosed
US-20040058971-A1 Substituted dipeptides as growth hormone secretagogues ELI LILLY AND COMPANY 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-20040058971-A1 Substituted dipeptides as growth hormone secretagogues GHSR, GHRHR, SSTR4 GRIN1 684/4885GRIN2A 2019/4885GRIN2B 1725/4885

“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.