SCHEMBL5963426

SCHEMBL5963426

CN1C(=O)C(c2ccc(-c3ccccc3)cc2)=C(CBr)C12CCCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
PDE5A O76074 2/20 0.34
SIGMAR1 Q99720 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE4A P27815 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CHRNA7 P36544 1/20 0.32
GSK3B P49841 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
SCHEMBL5963908 0.97 SIGMAR1 (0.35) SLC6A2SLC6A4SLC6A3NR1H2NR1H3
SCHEMBL5963367 0.85 GRIN1 (0.41) NR1H2NR1H3PTGS2SIGMAR1
SCHEMBL5964157 0.83 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3NR1H2NR1H3
SCHEMBL5964153 0.80 SMN1; SMN2 (0.39) SLC6A2SLC6A4SLC6A3CTSBCTSS
SCHEMBL5963919 0.80 NR1H2 (0.34) SLC6A2SLC6A4SLC6A3NR1H2NR1H3
SCHEMBL5964553 0.70 PDE7A (0.45) SLC6A2SLC6A4SLC6A3PTGS2PDE5A
SCHEMBL5964124 0.70 LMNA (0.33) SLC6A2SLC6A4SLC6A3NR1H2NR1H3
SCHEMBL5963542 0.68 DRD2 (0.35) PTGS2
SCHEMBL5963550 0.67 TSHR (0.42) PDE5APDE7APDE4APDE1BPDE4B
SCHEMBL5963356 0.65 GRIN1 (0.44) NR1H2NR1H3PTGS2

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 1380/4885SLC6A4 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.