SCHEMBL5963924

SCHEMBL5963924

CCNCC1=C(c2cccc(C(F)(F)F)c2)C(=O)N(C)C12CCCCC2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 2/20 0.38
HSD11B1 P28845 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35

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
SCHEMBL5964153 0.85 SMN1; SMN2 (0.39) SMN1; SMN2SLC6A4SLC6A3HSD11B1HRH3
SCHEMBL5963919 0.84 NR1H2 (0.34) SLC6A4SLC6A3KMT2ASLC6A2GRIN1
SCHEMBL5964157 0.82 SLC6A2 (0.36) SLC6A4SLC6A3SLC6A2
SCHEMBL5963352 0.78 SMN1; SMN2 (0.47) SMN1; SMN2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL5964124 0.77 LMNA (0.33) SLC6A4SLC6A3HSD11B1SLC6A2
SCHEMBL5964630 0.71 SMN1; SMN2 (0.41) SMN1; SMN2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL5963669 0.67 CHRNB2 (0.37) SLC6A4SLC6A3HSD11B1SLC6A2
SCHEMBL5963809 0.66 LMNA (0.36) SMN1; SMN2SLC6A4KMT2A
SCHEMBL5963426 0.65 SLC6A2 (0.36) SLC6A4SLC6A3SLC6A2
SCHEMBL5964235 0.63 SMN1; SMN2 (0.48) SMN1; SMN2SLC6A4SLC6A3MEN1KMT2A

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 SMN1; SMN2 3213/4885SLC6A4 794/4885SLC6A3 981/4885

“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.