SCHEMBL5963669

SCHEMBL5963669

CCNCC1=C(c2ccc(C(F)(F)F)cc2)S(=O)(=O)N(C)C12CCCCC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
SLC6A3 Q01959 3/20 0.35
SLC6A4 P31645 2/20 0.35
TRPV3 Q8NET8 4/20 0.35
CHKA P35790 1/20 0.33
GALR1 P47211 1/20 0.33
SLC6A2 P23975 1/20 0.33
HSD11B1 P28845 1/20 0.32
KCNH2 Q12809 1/20 0.32
KIF11 P52732 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
HTT P42858 1/20 0.31
SSTR3 P32745 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL5964213 0.85 HSD11B1 (0.33) SLC6A3SLC6A4SLC6A2HSD11B1
SCHEMBL5963606 0.85 LMNA (0.32) SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL5964265 0.77 TP53 (0.34) SLC6A3SLC6A4GALR1SLC6A2
SCHEMBL5964134 0.77 LMNA (0.36) SLC6A3SLC6A4GALR1SLC6A2HTR7
SCHEMBL5963964 0.73 LMNA (0.31) SLC6A3SLC6A4SLC6A2
SCHEMBL5004854 0.72 HSD11B1 (0.32) HSD11B1
SCHEMBL5001010 0.71 CACNA1G (0.38)
SCHEMBL5963783 0.69 SLC6A4 (0.33) SLC6A3SLC6A4GALR1SLC6A2KCNH2
SCHEMBL5900737 0.68 EBP (0.33) HSD11B1
SCHEMBL5963924 0.67 SMN1; SMN2 (0.39) SLC6A3SLC6A4SLC6A2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326851-B1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2004-06-30 EP claimed
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 CHRNB2 4068/4885CHRNB4 3892/4885CHRNA3 4475/4885

“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.