SCHEMBL5640438

SCHEMBL5640438

CNC(=O)CN1CCCC[C@H](NC=O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XIAP P98170 4/20 0.46
MMP1 P03956 5/20 0.41
MMP3 P08254 5/20 0.41
ACE P12821 6/20 0.38
MME P08473 1/20 0.38
CASP3 P42574 1/20 0.38
TPSAB1 Q15661 3/20 0.38
TPSD1 Q9BZJ3 3/20 0.38
TPSG1 Q9NRR2 3/20 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
SCHEMBL5639004 0.85 ACE (0.51) XIAPMMP1MMP3ACEMME
SCHEMBL5638714 0.84 MMP1 (0.54) XIAPMMP1MMP3ACEMME
SCHEMBL5640435 0.81 XIAP (0.41) XIAPMMP1MMP3ACEMME
SCHEMBL5636760 0.80 GAA (0.36) XIAPMMP1MMP3ACE
SCHEMBL5638882 0.78 TPSAB1 (0.56) XIAPACEMMECASP3TPSAB1
SCHEMBL5638452 0.78 TPSAB1 (0.47) XIAPTPSAB1TPSD1TPSG1
SCHEMBL5638820 0.77 XIAP (0.38) XIAPMMP1MMP3ACEMME
SCHEMBL5637029 0.76 POLB (0.35) XIAP
SCHEMBL5637709 0.76 POLB (0.35) XIAP
SCHEMBL5638095 0.76 RAMP1 (0.40) XIAPACEMMETPSAB1TPSD1

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 XIAP 2106/4885MMP1 4398/4885MMP3 3155/4885

“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.