SCHEMBL5963474

SCHEMBL5963474

CCC1(CC)NC(=O)C(c2ccc(Cl)cc2)=C1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
PTGS2 P35354 1/20 0.40
GSK3B P49841 8/20 0.38
FPR2 P25090 2/20 0.37
ELANE P08246 1/20 0.36
GSK3A P49840 1/20 0.35
ACACB O00763 3/20 0.34
ACACA Q13085 3/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5963469 0.80 RECQL (0.38) RECQLPTGS2GSK3BFPR2ELANE
SCHEMBL5964024 0.77 FPR2 (0.38) RECQLPTGS2GSK3BFPR2ELANE
SCHEMBL5963925 0.72 ACACB (0.45) RECQLPTGS2GSK3BFPR2ACACB
SCHEMBL27950468 0.68 PTGS2 (0.69) RECQLPTGS2GSK3BGSK3A
SCHEMBL5963875 0.67 RECQL (0.43) RECQLPTGS2GSK3BGSK3AACACB
SCHEMBL5963955 0.66 RECQL (0.39) RECQLPTGS2GSK3BFPR2ELANE
SCHEMBL6704189 0.64 PTGS2 (0.58) RECQLPTGS2GSK3BGSK3A
SCHEMBL13673137 0.63 LMNA (0.39) GSK3BGSK3AACACBACACA
SCHEMBL3816794 0.62 GSK3B (0.67) PTGS2GSK3BGSK3A
SCHEMBL7753950 0.62 CYP2D6 (0.46) RECQLPTGS2GSK3BGSK3ACYP2D6

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 4827/4885PTGS2 3956/4885GSK3B 3238/4885

“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.