SCHEMBL5639004

SCHEMBL5639004

O=CN[C@H]1CCCCN(CC(=O)O)C1=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.51
MME P08473 1/20 0.51
XIAP P98170 1/20 0.41
F2 P00734 3/20 0.41
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
F10 P00742 2/20 0.39
MMP1 P03956 2/20 0.38
MMP3 P08254 2/20 0.38

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
SCHEMBL5640438 0.85 XIAP (0.46) ACEMMEXIAPMMP1MMP3
SCHEMBL5638714 0.85 MMP1 (0.54) ACEMMEXIAPF2F10
SCHEMBL10941726 0.82 ACE (0.59) ACEMMEXIAPF10MMP1
SCHEMBL805251 0.82 ACE (0.53) ACEMMEXIAPF2F10
SCHEMBL5636760 0.80 GAA (0.36) ACEXIAPF10MMP1MMP3
SCHEMBL5638998 0.79 ACE (0.51) ACEMMEF2F10MMP1
SCHEMBL5638882 0.79 TPSAB1 (0.56) ACEMMEXIAPF2F10
SCHEMBL5638095 0.79 RAMP1 (0.40) ACEMMEXIAPF2PRSS1
SCHEMBL5638218 0.78 SRC (0.34) ACEMMEXIAPF2F10
SCHEMBL5638820 0.77 XIAP (0.38) ACEMMEXIAPMMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220856-B2 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-15 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-20040072818-A1 Substituted quinoline CCR5 receptor antagonists CCR5, CXCR3, CCR2 ACE 1267/4885MME 1194/4885XIAP 2106/4885

“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.