SCHEMBL5963875

SCHEMBL5963875

CC1(C)NC(=O)C(c2ccc(Cl)cc2)=C1CBr

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
PTGS2 P35354 2/20 0.39
GSK3B P49841 8/20 0.38
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
GSK3A P49840 1/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP13 P45452 1/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP8 P22894 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
SCHEMBL5963586 0.86 HAO1 (0.34) PTGS2MAPK1ALDH1A1LMNAGAA
SCHEMBL5963469 0.82 RECQL (0.38) RECQLPTGS2GSK3BGSK3AMMP2
SCHEMBL5963955 0.80 RECQL (0.39) RECQLPTGS2GSK3BMAPK1ALDH1A1
SCHEMBL5963575 0.77 PDE7A (0.39) PTGS2GSK3BALDH1A1ACACBACACA
SCHEMBL5900937 0.69 RECQL (0.33) RECQLALDH1A1MMP2MMP9MMP8
SCHEMBL5963322 0.68 FPR2 (0.35) ALDH1A1LMNAHTT
SCHEMBL5964024 0.67 FPR2 (0.38) RECQLPTGS2GSK3BALDH1A1GSK3A
SCHEMBL5963474 0.67 RECQL (0.41) RECQLPTGS2GSK3BGSK3AMMP2
SCHEMBL11941316 0.63 ACACB (0.65) RECQLGSK3BGSK3AACACBACACA
SCHEMBL5964447 0.63 PTGS2 (0.36) PTGS2ALDH1A1LMNA

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 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.