SCHEMBL5963733

SCHEMBL5963733

CCNCC1=C(c2ccc(-c3ccccc3)cc2)C(=O)NC12CCCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.41
KMT2A Q03164 3/20 0.39
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
TSHR P16473 1/20 0.36
PDE7B Q9NP56 2/20 0.36
PDE5A O76074 1/20 0.36
PDE4A P27815 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE1C Q14123 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
LMNA P02545 1/20 0.34
POLB P06746 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
SCHEMBL5963932 0.97 KMT2A (0.40) PDE7AKMT2ATSHRPDE7BPDE5A
SCHEMBL5963585 0.90 POLB (0.42) KMT2APDE7BLMNAPOLBPTGS2
SCHEMBL5963658 0.88 AKR1B1 (0.40) PDE7AKMT2APDE7BLMNA
SCHEMBL5964489 0.88 FPR2 (0.40) KMT2APDE7BCTSLCTSBCTSS
SCHEMBL5963527 0.88 ALDH1A1 (0.42) KMT2ASLC6A4SLC6A3PDE7BLMNA
SCHEMBL5963923 0.86 AKR1B1 (0.43) PDE7AKMT2APTGS2TDP1
SCHEMBL5963769 0.84 PDE7B (0.39) PDE7ASLC6A2SLC6A4SLC6A3PDE7B
SCHEMBL5963591 0.82 SLC6A4 (0.43) PDE7AKMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL5963968 0.81 PDE7B (0.38) PDE7AKMT2ASLC6A4PDE7BLMNA
SCHEMBL5964553 0.81 PDE7A (0.45) PDE7AKMT2ASLC6A2SLC6A4SLC6A3

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 PDE7A 1888/4885KMT2A 3557/4885SLC6A2 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.