SCHEMBL5963575

SCHEMBL5963575

O=C1NC2(CCCCC2)C(CBr)=C1c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.39
AKR1B1 P15121 1/20 0.38
FPR2 P25090 1/20 0.36
ACACB O00763 4/20 0.35
ACACA Q13085 4/20 0.35
PTGS2 P35354 1/20 0.35
GSK3B P49841 2/20 0.35
MGAT2 Q10469 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5963723 0.87 FPR2 (0.39) PDE7AAKR1B1FPR2KMT2A
SCHEMBL5964553 0.86 PDE7A (0.45) PDE7APTGS2KMT2A
SCHEMBL5964262 0.86 ALDH1A1 (0.44) PDE7AKMT2AALDH1A1
SCHEMBL5963550 0.86 TSHR (0.42) PDE7AGSK3BKMT2AALDH1A1
SCHEMBL5964451 0.85 PDE7A (0.38) PDE7A
SCHEMBL5963779 0.84 PGR (0.43) PDE7AGSK3B
SCHEMBL5963581 0.83 PDE7A (0.42) PDE7AAKR1B1PTGS2GSK3BKMT2A
SCHEMBL5963658 0.81 AKR1B1 (0.40) PDE7AAKR1B1FPR2ACACBACACA
SCHEMBL5964218 0.78 PDE7A (0.45) PDE7AGSK3BKMT2AALDH1A1
SCHEMBL5963925 0.78 ACACB (0.45) PDE7AAKR1B1FPR2ACACBACACA

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 PDE7A 1888/4885AKR1B1 4086/4885FPR2 2452/4885

“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.