SCHEMBL5963923

SCHEMBL5963923

CCNCC1=C(c2ccc(OC)cc2)C(=O)NC12CCCCC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.43
NPC1 O15118 1/20 0.42
PDE7A Q13946 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GSK3B P49841 3/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGS2 P35354 1/20 0.36
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
SSTR3 P32745 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
SCHEMBL5963585 0.88 POLB (0.42) AKR1B1NPC1MEN1KMT2AALDH1A1
SCHEMBL5963527 0.86 ALDH1A1 (0.42) MEN1KMT2AALDH1A1HTTSSTR3
SCHEMBL5964489 0.86 FPR2 (0.40) AKR1B1KMT2A
SCHEMBL5963733 0.86 PDE7A (0.41) PDE7AKMT2ATDP1PTGS2
SCHEMBL5963658 0.86 AKR1B1 (0.40) AKR1B1PDE7AKMT2AGSK3BALDH1A1
SCHEMBL5963932 0.85 KMT2A (0.40) PDE7AKMT2AALDH1A1TDP1
SCHEMBL5964441 0.83 PDE7A (0.42) AKR1B1NPC1PDE7AMEN1KMT2A
SCHEMBL5963581 0.83 PDE7A (0.42) AKR1B1NPC1PDE7AMEN1KMT2A
SCHEMBL5963591 0.81 SLC6A4 (0.43) AKR1B1PDE7AKMT2ATDP1
SCHEMBL5963594 0.77 PDE7A (0.46) AKR1B1NPC1PDE7AMEN1KMT2A

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 AKR1B1 4086/4885NPC1 4150/4885PDE7A 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.