SCHEMBL5636760

SCHEMBL5636760

CCN1CCCC[C@H](NC=O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MMP1 P03956 10/20 0.35
MMP3 P08254 10/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
XIAP P98170 2/20 0.34
ADH1B P00325 2/20 0.34
ADH1C P00326 2/20 0.34
ADH1A P07327 2/20 0.34
ADH7 P40394 1/20 0.34
ADH4 P08319 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
F10 P00742 1/20 0.33
SRC P12931 1/20 0.33
ACE P12821 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
SCHEMBL5638095 0.83 RAMP1 (0.40) XIAPADH1BADH1CADH1AADH7
SCHEMBL14169965 0.81 GAA (0.39) GAAMMP1MMP3L3MBTL1ALOX5AP
SCHEMBL5638218 0.81 SRC (0.34) MMP1MMP3XIAPADH1BADH1C
SCHEMBL5638820 0.81 XIAP (0.38) MMP1MMP3XIAPACE
SCHEMBL5639004 0.80 ACE (0.51) MMP1MMP3XIAPF10ACE
SCHEMBL10209107 0.80 GAA (0.38) GAAMMP1MMP3L3MBTL1ALOX5AP
SCHEMBL5638714 0.80 MMP1 (0.54) MMP1MMP3XIAPF10ACE
SCHEMBL5640438 0.80 XIAP (0.46) MMP1MMP3XIAPACE
SCHEMBL5639368 0.78 ADH1B (0.38) ADH1BADH1CADH1AADH7ADH4
SCHEMBL5639922 0.78 NPY1R (0.39) XIAPF10SRCACE

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-7220856-B2 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
EP-1534681-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-01 EP disclosed
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-15 US disclosed
WO-2004002960-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-08 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-20040072818-A1 Substituted quinoline CCR5 receptor antagonists CCR5, CXCR3, CCR2 GAA 4333/4885MMP1 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.