SCHEMBL5963955

SCHEMBL5963955

CCNCC1=C(c2ccc(Cl)cc2)C(=O)NC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
GSK3B P49841 8/20 0.37
PTGS2 P35354 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
GSK3A P49840 1/20 0.34
FPR2 P25090 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ELANE P08246 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL5963322 0.86 FPR2 (0.35) ALDH1A1LMNAHTTFPR2
SCHEMBL5004804 0.72 MEN1 (0.32) RECQLMEN1KMT2A
SCHEMBL5963469 0.69 RECQL (0.38) RECQLGSK3BPTGS2GSK3AFPR2
SCHEMBL5964489 0.68 FPR2 (0.40) LMNAFPR2KMT2A
SCHEMBL5963769 0.67 PDE7B (0.39) GSK3BGSK3A
SCHEMBL5964124 0.67 LMNA (0.33) PTGS2LMNAELANE
SCHEMBL5963932 0.67 KMT2A (0.40) ALDH1A1LMNAKMT2A
SCHEMBL5963923 0.66 AKR1B1 (0.43) GSK3BPTGS2ALDH1A1HTTMEN1
SCHEMBL5963586 0.66 HAO1 (0.34) PTGS2MAPK1ALDH1A1LMNAGAA
SCHEMBL5963474 0.66 RECQL (0.41) RECQLGSK3BPTGS2GSK3AFPR2

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 5 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
EP-1326851-A1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2003-07-16 EP disclosed
WO-2002032888-A1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2002-04-25 WO 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 RECQL 4827/4885GSK3B 3238/4885PTGS2 3956/4885

“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.