SCHEMBL5963934

SCHEMBL5963934

CCNCC1=C(c2ccc(OC)cc2)C(=O)N(C)C12CCCCC2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
ALDH1A1 P00352 3/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AKR1B1 P15121 1/20 0.36
HTR7 P34969 2/20 0.36
PTGS2 P35354 1/20 0.36
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
ME2 P23368 1/20 0.33
ME1 P48163 1/20 0.33
ME3 Q16798 1/20 0.33

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
SCHEMBL5964157 0.86 SLC6A2 (0.36) NR1H2NR1H3PTGS2
SCHEMBL5963919 0.86 NR1H2 (0.34) GRIN1GRIN2AALDH1A1NR1H2NR1H3
SCHEMBL5963367 0.83 GRIN1 (0.41) GRIN1GRIN2AGRIN2BALDH1A1NR1H2
SCHEMBL5963356 0.78 GRIN1 (0.44) GRIN1GRIN2AGRIN2BALDH1A1NR1H2
SCHEMBL5963923 0.76 AKR1B1 (0.43) ALDH1A1HPGDTDP1AKR1B1PTGS2
SCHEMBL5963924 0.75 SMN1; SMN2 (0.39) GRIN1GRIN2B
SCHEMBL5963809 0.74 LMNA (0.36) ALDH1A1HPGDTDP1PTGS2MAPT
SCHEMBL5963938 0.68 SLC6A4 (0.34) ALDH1A1NR1H2NR1H3TDP1PTGS2
SCHEMBL5964213 0.62 HSD11B1 (0.33)
SCHEMBL5963677 0.62 PTGS2 (0.39) ALDH1A1PTGS2

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.