SCHEMBL5640189

SCHEMBL5640189

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44
BTK Q06187 1/20 0.42
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CTSK P43235 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 1/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
NAAA Q02083 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL5638007 1.00 GAA (0.44) GAAF2F10PRSS1BTK
SCHEMBL5638640 0.88 NAAA (0.46) GAAF2F10PRSS1BTK
SCHEMBL5639417 0.88 F2 (0.43) GAAF2F10PRSS1BTK
SCHEMBL5638689 0.88 F2 (0.48) GAAF2F10PRSS1BTK
SCHEMBL14515770 0.87 F2 (0.42) GAAF2F10PRSS1BTK
SCHEMBL5637298 0.87 F2 (0.42) GAAF2F10PRSS1BTK
SCHEMBL5637393 0.86 GAA (0.44) GAAF2F10PRSS1BTK
SCHEMBL5641720 0.86 F2 (0.42) GAAF2F10PRSS1BTK
SCHEMBL5637328 0.86 F2 (0.42) GAAF2F10PRSS1BTK
SCHEMBL5639542 0.85 GAA (0.46) GAAF2F10PRSS1BTK

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 4333/4885F2 4543/4885F10 4667/4885

“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.