SCHEMBL5891135

SCHEMBL5891135

CN1CCC(C2CCN(C(=O)[C@H](CC3CCOCC3)NC(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.44
CTSS P25774 4/20 0.44
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PABPC1 P11940 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
CALCRL Q16602 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 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
SCHEMBL5891850 0.89 CTSS (0.54) CTSKCTSSTSHRKMT2AMEN1
SCHEMBL5891156 0.89 CALCRL (0.42) CTSKCTSSTSHRKMT2AMEN1
SCHEMBL5144768 0.85 TSHR (0.41) CTSKCTSSTSHRKMT2AMEN1
SCHEMBL5141590 0.83 TSHR (0.46) CTSKCTSSTSHRKMT2AMEN1
SCHEMBL9089830 0.82 CTSS (0.56) CTSKCTSSTSHRALDH1A1AAK1
SCHEMBL27539175 0.82 CTSS (0.56) CTSKCTSSTSHRALDH1A1AAK1
SCHEMBL4685418 0.81 KMT2A (0.57) CTSKCTSSTSHRKMT2AMEN1
SCHEMBL5141678 0.81 TSHR (0.52) CTSKCTSSTSHRKMT2AMEN1
SCHEMBL5141638 0.81 TSHR (0.45) CTSKCTSSTSHRKMT2AMEN1
SCHEMBL5891166 0.81 CTSS (0.46) CTSKCTSSTSHRKMT2AMAPK1

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 CTSK 3274/4885CTSS 3515/4885TSHR 1686/4885

“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.