SCHEMBL5963482

SCHEMBL5963482

CCNCC1=C(c2ccc3ccccc3c2)S(=O)(=O)NC12CCCCC2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.34
SLC6A3 Q01959 8/20 0.34
SLC6A4 P31645 5/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
PDE7B Q9NP56 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
SCHEMBL5963456 0.86 SLC6A2 (0.36) SLC6A2SLC6A3SLC6A4PDE7B
SCHEMBL5963556 0.86 KMT2A (0.34) SLC6A2SLC6A3SLC6A4LMNAMAPT
SCHEMBL5963604 0.84 POLB (0.35) ALDH1A1KDM4EPKMHPGDPDE7B
SCHEMBL5964162 0.83 ALDH1A1 (0.33) ALDH1A1KDM4ELMNAMAPK1HPGD
SCHEMBL5963362 0.83 GALR1 (0.34) ALDH1A1PDE7B
SCHEMBL5963816 0.82 OPRM1 (0.35) ALDH1A1LMNA
SCHEMBL5964210 0.82 AKR1B1 (0.34) SLC6A2SLC6A3SLC6A4ALDH1A1LMNA
SCHEMBL5004773 0.82 ALDH1A1 (0.36) SLC6A3SLC6A4ALDH1A1
SCHEMBL5004858 0.81 AKR1B1 (0.33) SLC6A2SLC6A3SLC6A4PDE7B
SCHEMBL5963697 0.80 SLC6A3 (0.34) SLC6A2SLC6A3SLC6A4ALDH1A1KDM4E

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 SLC6A2 1380/4885SLC6A3 981/4885SLC6A4 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.