SCHEMBL5963697

SCHEMBL5963697

CCNCC1=C(c2cccc3ccccc23)S(=O)(=O)NC12CCCCC2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
GALR1 P47211 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
CCR4 P51679 1/20 0.31
PDE7B Q9NP56 1/20 0.31
HTR1B P28222 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
SCHEMBL5964549 0.84 PDE7B (0.34) SLC6A3SLC6A2SLC6A4GALR1LMNA
SCHEMBL5963588 0.84 LMNA (0.33) GALR1ALDH1A1LMNA
SCHEMBL5963556 0.82 KMT2A (0.34) SLC6A3SLC6A2SLC6A4MAPTLMNA
SCHEMBL5963482 0.80 SLC6A2 (0.34) SLC6A3SLC6A2SLC6A4KDM4EALDH1A1
SCHEMBL5963456 0.80 SLC6A2 (0.36) SLC6A3SLC6A2SLC6A4PDE7B
SCHEMBL5963604 0.77 POLB (0.35) GALR1KDM4EALDH1A1HPGDPDE7B
SCHEMBL5963362 0.76 GALR1 (0.34) GALR1ALDH1A1GAAPDE7B
SCHEMBL5004773 0.75 ALDH1A1 (0.36) SLC6A3SLC6A4ALDH1A1
SCHEMBL5963816 0.75 OPRM1 (0.35) ALDH1A1LMNA
SCHEMBL5964210 0.75 AKR1B1 (0.34) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA

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 SLC6A3 981/4885SLC6A2 1380/4885SLC6A4 794/4885

“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.