SCHEMBL5963932

SCHEMBL5963932

CCNCC1=C(c2ccccc2)C(=O)NC12CCCCC2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
TSHR P16473 1/20 0.38
PDE7A Q13946 3/20 0.37
LMNA P02545 1/20 0.36
PDE7B Q9NP56 2/20 0.35
PDE5A O76074 1/20 0.35
PDE4A P27815 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE1C Q14123 1/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL5963733 0.97 PDE7A (0.41) KMT2ATSHRPDE7ALMNAPDE7B
SCHEMBL5963585 0.90 POLB (0.42) KMT2ALMNAPDE7BPOLBKDM4E
SCHEMBL5963658 0.88 AKR1B1 (0.40) KMT2APDE7ALMNAPDE7BALDH1A1
SCHEMBL5964489 0.88 FPR2 (0.40) KMT2ALMNAPDE7BPOLB
SCHEMBL5963527 0.88 ALDH1A1 (0.42) KMT2ALMNAPDE7BPOLBALDH1A1
SCHEMBL5963769 0.86 PDE7B (0.39) PDE7APDE7B
SCHEMBL5963923 0.85 AKR1B1 (0.43) KMT2APDE7AALDH1A1TDP1
SCHEMBL5963968 0.83 PDE7B (0.38) KMT2APDE7ALMNAPDE7B
SCHEMBL5963591 0.82 SLC6A4 (0.43) KMT2APDE7APDE7BPDE5APDE4A
SCHEMBL5964170 0.81 ALDH1A1 (0.39) KMT2ATSHRLMNAPDE7BKDM4E

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 KMT2A 3557/4885TSHR 224/4885PDE7A 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.