SCHEMBL5964097

SCHEMBL5964097

CC1=C(c2ccccc2)C(=O)NC12CCCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
PDE7A Q13946 4/20 0.43
KMT2A Q03164 2/20 0.41
PDE5A O76074 1/20 0.41
PDE4A P27815 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE1C Q14123 1/20 0.41
PDE7B Q9NP56 1/20 0.41
POLB P06746 2/20 0.40
GSK3B P49841 2/20 0.40
PTGS2 P35354 3/20 0.38
PTGS1 P23219 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL5963925 0.84 ACACB (0.45) PDE7APOLBGSK3BPTGS2
SCHEMBL3827563 0.84 TSHR (0.45) TSHRPDE7AKMT2APDE5APDE4A
SCHEMBL5963594 0.82 PDE7A (0.46) TSHRPDE7AKMT2AGSK3BPTGS2
SCHEMBL5963550 0.77 TSHR (0.42) TSHRPDE7AKMT2APDE5APDE4A
SCHEMBL5963917 0.77 PRKCA (0.38) PDE7AKMT2APOLBGSK3BALDH1A1
SCHEMBL5964553 0.75 PDE7A (0.45) TSHRPDE7AKMT2APDE5APDE4A
SCHEMBL10193397 0.75 ACACB (0.61) TSHRPDE7AKMT2APDE5APDE4A
SCHEMBL811923 0.75 ACACB (0.50) TSHRPDE7APDE5APDE4APDE1A
SCHEMBL5963932 0.75 KMT2A (0.40) TSHRPDE7AKMT2APDE5APDE4A
SCHEMBL5963733 0.73 PDE7A (0.41) TSHRPDE7AKMT2APDE5APDE4A

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 TSHR 224/4885PDE7A 1888/4885KMT2A 3557/4885

“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.