SCHEMBL5963591

SCHEMBL5963591

CCNCC1=C(c2ccc(Cl)c(Cl)c2)C(=O)NC12CCCCC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.43
SLC6A3 Q01959 5/20 0.43
SLC6A2 P23975 2/20 0.43
PDE7B Q9NP56 3/20 0.40
PDE7A Q13946 9/20 0.37
PDE1A P54750 4/20 0.36
PDE1B Q01064 4/20 0.36
PDE4D Q08499 4/20 0.36
PDE1C Q14123 4/20 0.36
PDE3A Q14432 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
PDE5A O76074 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
ALKBH3 Q96Q83 1/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.34
AKR1B1 P15121 1/20 0.33

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 0.87 AKR1B1 (0.40) PDE7BPDE7AKMT2AAKR1B1
SCHEMBL5963769 0.85 PDE7B (0.39) SLC6A4SLC6A3SLC6A2PDE7BPDE7A
SCHEMBL5963585 0.84 POLB (0.42) PDE7BKMT2AAKR1B1
SCHEMBL5963733 0.82 PDE7A (0.41) SLC6A4SLC6A3SLC6A2PDE7BPDE7A
SCHEMBL5964489 0.82 FPR2 (0.40) PDE7BKMT2AAKR1B1
SCHEMBL5963527 0.82 ALDH1A1 (0.42) SLC6A4SLC6A3PDE7BKMT2A
SCHEMBL5963932 0.82 KMT2A (0.40) PDE7BPDE7APDE1APDE1BPDE4D
SCHEMBL5964451 0.82 PDE7A (0.38) SLC6A4SLC6A3SLC6A2PDE7BPDE7A
SCHEMBL5963968 0.81 PDE7B (0.38) SLC6A4PDE7BPDE7AKMT2A
SCHEMBL5963923 0.81 AKR1B1 (0.43) PDE7ATDP1KMT2AAKR1B1

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 SLC6A4 794/4885SLC6A3 981/4885SLC6A2 1380/4885

“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.