SCHEMBL5637243

SCHEMBL5637243

CCOC(=O)N1CCCC[C@@H](NC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43
NAAA Q02083 2/20 0.42
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
CTSL P07711 1/20 0.38
EPHX1 P07099 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CTSK P43235 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL5638640 0.89 NAAA (0.46) F2F10PRSS1NAAAGAA
SCHEMBL5638007 0.85 GAA (0.44) F2F10PRSS1NAAAKMT2A
SCHEMBL5640189 0.85 GAA (0.44) F2F10PRSS1NAAAKMT2A
SCHEMBL5639417 0.84 F2 (0.43) F2F10PRSS1NAAAKMT2A
SCHEMBL5638689 0.84 F2 (0.48) F2F10PRSS1NAAAKMT2A
SCHEMBL14515770 0.82 F2 (0.42) F2F10PRSS1NAAAKMT2A
SCHEMBL5637298 0.82 F2 (0.42) F2F10PRSS1NAAAKMT2A
SCHEMBL5641720 0.81 F2 (0.42) F2F10PRSS1KMT2AGAA
SCHEMBL5637328 0.81 F2 (0.42) F2F10PRSS1NAAAKMT2A
SCHEMBL5637393 0.81 GAA (0.44) F2F10PRSS1KMT2AGAA

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 F2 4543/4885F10 4667/4885PRSS1 1278/4885

“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.