SCHEMBL5963769

SCHEMBL5963769

CCNCC1=C(c2cccc(Cl)c2)C(=O)NC12CCCCC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE7B Q9NP56 1/20 0.39
PGR P06401 4/20 0.39
TP53 P04637 1/20 0.38
GSK3B P49841 4/20 0.37
GSK3A P49840 2/20 0.36
PDE7A Q13946 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
BRDT Q58F21 1/20 0.35
AKR1B1 P15121 1/20 0.35
GHSR Q92847 2/20 0.35

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
SCHEMBL5963658 0.86 AKR1B1 (0.40) PDE7BGSK3BPDE7AAKR1B1
SCHEMBL5963932 0.86 KMT2A (0.40) PDE7BPDE7A
SCHEMBL5963591 0.85 SLC6A4 (0.43) PDE7BPDE7ASLC6A2SLC6A4SLC6A3
SCHEMBL5963352 0.84 SMN1; SMN2 (0.47) TP53PDE7ASLC6A2SLC6A4SLC6A3
SCHEMBL5963733 0.84 PDE7A (0.41) PDE7BPDE7ASLC6A2SLC6A4SLC6A3
SCHEMBL5963779 0.82 PGR (0.43) PDE7BPGRTP53GSK3BGSK3A
SCHEMBL5963585 0.81 POLB (0.42) PDE7BADORA2AAKR1B1
SCHEMBL5963968 0.80 PDE7B (0.38) PDE7BGSK3BGSK3APDE7ASLC6A4
SCHEMBL5964489 0.79 FPR2 (0.40) PDE7BAKR1B1
SCHEMBL5963527 0.79 ALDH1A1 (0.42) PDE7BSLC6A4SLC6A3

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 2 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
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 PDE7B 1268/4885PGR 813/4885TP53 3810/4885

“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.