SCHEMBL5963779

SCHEMBL5963779

O=C1NC2(CCCCC2)C(CBr)=C1c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.43
PDE7A Q13946 5/20 0.40
TDP2 O95551 2/20 0.37
GSK3B P49841 3/20 0.37
PDE7B Q9NP56 2/20 0.37
PDE5A O76074 1/20 0.37
PDE4A P27815 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE1C Q14123 1/20 0.37
GSK3A P49840 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL5963575 0.84 PDE7A (0.39) PDE7AGSK3B
SCHEMBL5963550 0.84 TSHR (0.42) PDE7AGSK3BPDE7BPDE5APDE4A
SCHEMBL5964451 0.84 PDE7A (0.38) PDE7APDE7BPDE5APDE4APDE1A
SCHEMBL5963769 0.82 PDE7B (0.39) PGRPDE7AGSK3BPDE7BGSK3A
SCHEMBL5964235 0.82 SMN1; SMN2 (0.48) PDE7A
SCHEMBL5964553 0.82 PDE7A (0.45) PDE7APDE7BPDE5APDE4APDE1A
SCHEMBL5963723 0.78 FPR2 (0.39) PDE7ATDP2
SCHEMBL5964218 0.77 PDE7A (0.45) PDE7AGSK3BPDE7BPDE5APDE4A
SCHEMBL5964262 0.76 ALDH1A1 (0.44) PDE7A
SCHEMBL5963581 0.73 PDE7A (0.42) PDE7AGSK3BTP53

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 PGR 813/4885PDE7A 1888/4885TDP2 4632/4885

“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.