SCHEMBL5963922

SCHEMBL5963922

CC1=C(c2ccc(C(F)(F)F)cc2)S(=O)(=O)N(C)C12CCCCC2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
SLC6A3 Q01959 3/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 1/20 0.35
CHKA P35790 1/20 0.35
HSD11B1 P28845 2/20 0.35
PTGS2 P35354 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A9 P48067 1/20 0.32

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
SCHEMBL5964017 0.82 GRIN1 (0.36) SLC6A3SLC6A4SLC6A2SIGMAR1KCNH2
SCHEMBL5963669 0.79 CHRNB2 (0.37) GALR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6820267 0.67 CHRNB2 (0.37) GALR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5963783 0.66 SLC6A4 (0.33) GALR1SLC6A3SLC6A4SLC6A2SIGMAR1
SCHEMBL5963561 0.62 SLC6A2 (0.33) SLC6A3SLC6A4SLC6A2SIGMAR1KCNH2
SCHEMBL13197431 0.61 SLC6A3 (0.51) SLC6A3SLC6A4SLC6A2HSD11B1
SCHEMBL5963530 0.61 PGR (0.42) MEN1HPGDTSHRKMT2A
SCHEMBL8512044 0.60 GRIN1 (0.61) SLC6A3SLC6A4SLC6A2HSD11B1SIGMAR1
SCHEMBL11464088 0.60 GRIN1 (0.61) SLC6A3SLC6A4SLC6A2HSD11B1SIGMAR1
SCHEMBL10453441 0.59 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2

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 GALR1 404/4885CHRNB2 4068/4885CHRNB4 3892/4885

“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.