SCHEMBL5963925

SCHEMBL5963925

CC1=C(c2ccc(Cl)cc2)C(=O)NC12CCCCC2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.45
ACACA Q13085 5/20 0.45
PDE7A Q13946 6/20 0.41
GSK3B P49841 1/20 0.40
RECQL P46063 1/20 0.39
FPR2 P25090 1/20 0.39
POLB P06746 1/20 0.38
PTGS2 P35354 1/20 0.38
AKR1B1 P15121 1/20 0.38
MGAT2 Q10469 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
SCHEMBL5964097 0.84 TSHR (0.45) PDE7AGSK3BPOLBPTGS2
SCHEMBL5963594 0.82 PDE7A (0.46) PDE7AGSK3BPTGS2AKR1B1
SCHEMBL5963575 0.78 PDE7A (0.39) ACACBACACAPDE7AGSK3BFPR2
SCHEMBL811962 0.78 ACACB (0.55) ACACBACACAPDE7A
SCHEMBL6114105 0.77 ACACB (0.75) ACACBACACAPDE7AGSK3B
SCHEMBL2356684 0.77 ACACB (0.75) ACACBACACAPDE7AGSK3B
SCHEMBL2355636 0.77 ACACB (0.75) ACACBACACAPDE7AGSK3B
SCHEMBL5963658 0.76 AKR1B1 (0.40) ACACBACACAPDE7AGSK3BFPR2
SCHEMBL2353419 0.75 ACACB (0.77) ACACBACACAPDE7AGSK3BMGAT2
SCHEMBL14690502 0.74 NR1H2 (0.45) ACACBACACARECQLFPR2POLB

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 ACACB 2760/4885ACACA 2933/4885PDE7A 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.