SCHEMBL5891156

SCHEMBL5891156

CN1CCC(N2CCN(C(=O)[C@H](CC3CCOCC3)NC(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 1/20 0.42
CTSK P43235 3/20 0.42
CTSS P25774 3/20 0.42
TSHR P16473 1/20 0.38
KMT2A Q03164 3/20 0.37
HRH2 P25021 3/20 0.37
HRH1 P35367 3/20 0.37
MAPK1 P28482 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
MEN1 O00255 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL5891166 0.93 CTSS (0.46) CALCRLCTSKCTSSTSHRKMT2A
SCHEMBL5891240 0.90 CTSS (0.51) CALCRLCTSKCTSSTSHRKMT2A
SCHEMBL5891135 0.89 CTSK (0.44) CALCRLCTSKCTSSTSHRKMT2A
SCHEMBL6735202 0.87 CALCRL (0.41) CALCRLCTSKCTSSTSHRKMT2A
SCHEMBL5143114 0.86 CALCRL (0.42) CALCRLCTSKTSHRKMT2AHRH2
SCHEMBL5142485 0.84 CALCRL (0.46) CALCRLTSHRKMT2AHRH2HRH1
SCHEMBL4677918 0.82 MAPK1 (0.52) CALCRLCTSKCTSSTSHRKMT2A
SCHEMBL5891753 0.81 CALCRL (0.48) CALCRLTSHRKMT2AHRH2HRH1
SCHEMBL5891355 0.81 ITGB3 (0.47) CALCRLTSHRKMT2AHRH2HRH1
SCHEMBL9089830 0.80 CTSS (0.56) CTSKCTSSTSHRALDH1A1AAK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115609-B2 Alanyl-piperidine heterocyclic derivatives useful against cardiovascular diseases ELI LILLY AND COMPANY (US) 2006-10-03 US disclosed
US-20040254374-A1 Alanyl-piperidine heterocyclic derivatives useful against cardiovascular diseases ELI LILLY AND COMPANY 2004-12-16 US disclosed
EP-1456198-A1 ALANYL-PIPERIDINE HETEROCYCLIC DERIVATIVES USEFUL AGAINST CARDIOVASCULAR DISEASES ELI LILLY AND COMPANY (US) 2004-09-15 EP disclosed
WO-2003050109-A1 ALANYL-PIPERIDINE HETEROCYCLIC DERIVATIVES USEFUL AGAINST CARDIOVASCULAR DISEASES ELI LILLY AND COMPANY (US) 2003-06-19 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-20040254374-A1 Alanyl-piperidine heterocyclic derivatives useful against cardiovascular diseases XPNPEP1, XDH, SERPINC1 CALCRL 1475/4885CTSK 3274/4885CTSS 3515/4885

“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.