SCHEMBL6014844

SCHEMBL6014844

CCOCOC(=O)[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 6/20 0.43
NFKB2 Q00653 6/20 0.43
RELA Q04206 6/20 0.43
BTK Q06187 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KDM1A O60341 2/20 0.32
CTSK P43235 2/20 0.32
CTSL P07711 1/20 0.32
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL4417994 0.90 NFKB1 (0.47) NFKB1NFKB2RELABTKKMT2A
SCHEMBL4426330 0.90 NFKB1 (0.47) NFKB1NFKB2RELABTKKMT2A
SCHEMBL14475704 0.82 NFKB1 (0.43) NFKB1NFKB2RELABTKKMT2A
SCHEMBL31454795 0.81 NFKB1 (0.51) NFKB1NFKB2RELABTKKMT2A
SCHEMBL28572940 0.81 NFKB1 (0.51) NFKB1NFKB2RELABTKKMT2A
SCHEMBL4146153 0.81 NFKB1 (0.51) NFKB1NFKB2RELABTKKMT2A
SCHEMBL12951314 0.81 NFKB1 (0.51) NFKB1NFKB2RELABTKKMT2A
SCHEMBL2134157 0.81 NFKB1 (0.51) NFKB1NFKB2RELABTKKMT2A
SCHEMBL2134159 0.81 NFKB1 (0.51) NFKB1NFKB2RELABTKKMT2A
SCHEMBL13334908 0.81 NFKB1 (0.51) NFKB1NFKB2RELABTKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060020133-A1 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION 2006-01-26 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-20060020133-A1 3-aminocyclopentanecarboxamides as modulators of chemokine receptors CCR5, ACKR3, CXCR3 NFKB1 916/4885NFKB2 1518/4885RELA 829/4885

“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.