SCHEMBL5963968

SCHEMBL5963968

CCNCC1=C(c2ccccc2Cl)C(=O)NC12CCCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7B Q9NP56 2/20 0.38
LMNA P02545 2/20 0.38
PDE7A Q13946 2/20 0.38
STK10 O94804 6/20 0.37
SLK Q9H2G2 6/20 0.37
GSK3B P49841 4/20 0.37
KMT2A Q03164 1/20 0.37
GSK3A P49840 2/20 0.35
CLK2 P49760 1/20 0.35
GRIN1 Q05586 3/20 0.34
GRIN2A Q12879 3/20 0.34
SLC6A4 P31645 2/20 0.34
OPRK1 P41145 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
OPRM1 P35372 1/20 0.34
GRIN2B Q13224 1/20 0.34
CACNA1C Q13936 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 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
SCHEMBL5964254 0.89 PDE7A (0.36) PDE7BLMNAPDE7ASTK10SLK
SCHEMBL5963932 0.83 KMT2A (0.40) PDE7BLMNAPDE7AKMT2A
SCHEMBL5964218 0.82 PDE7A (0.45) PDE7BLMNAPDE7ASTK10SLK
SCHEMBL5963658 0.81 AKR1B1 (0.40) PDE7BLMNAPDE7AGSK3BKMT2A
SCHEMBL5963733 0.81 PDE7A (0.41) PDE7BLMNAPDE7AKMT2ASLC6A4
SCHEMBL5963591 0.81 SLC6A4 (0.43) PDE7BPDE7AKMT2ASLC6A4
SCHEMBL5963769 0.80 PDE7B (0.39) PDE7BPDE7AGSK3BGSK3ASLC6A4
SCHEMBL5963585 0.78 POLB (0.42) PDE7BLMNAKMT2A
SCHEMBL5964170 0.77 ALDH1A1 (0.39) PDE7BLMNAGSK3BKMT2A
SCHEMBL5964489 0.76 FPR2 (0.40) PDE7BLMNAKMT2AOPRM1

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 PDE7B 1268/4885LMNA 4666/4885PDE7A 1888/4885

“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.