SCHEMBL5261691

SCHEMBL5261691

CCCC1=C(N[C@@H](Cc2ccc(Oc3nccc4ccncc34)cc2)C(=O)OCC)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.36
ELANE P08246 1/20 0.35
ITGB1 P05556 6/20 0.33
ITGA4 P13612 6/20 0.33
SLC8A1 P32418 1/20 0.31
FFAR1 O14842 1/20 0.31
PPARG P37231 1/20 0.31
PSMB5 P28074 1/20 0.31
ACACB O00763 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PLG P00747 3/20 0.30
KDM4C Q9H3R0 1/20 0.30
PLAU P00749 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
ITGB7 P26010 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
SCHEMBL5259088 0.92 ITGB1 (0.41) DRD1ITGB1ITGA4FFAR1PPARG
SCHEMBL5260326 0.83 ITGB1 (0.38) ITGB1ITGA4PPARG
SCHEMBL5262264 0.83 ITGB1 (0.38) ITGB1ITGA4PPARG
SCHEMBL5260488 0.83 ITGB1 (0.38) DRD1ITGB1ITGA4FFAR1PPARG
SCHEMBL5335132 0.83 ELANE (0.34) ELANESLC8A1KDM4C
SCHEMBL5262517 0.82 NLRP3 (0.33) PPARG
SCHEMBL5147510 0.80 ITGB1 (0.44) DRD1ELANEITGB1ITGA4SLC8A1
SCHEMBL7259520 0.79 ITGB1 (0.41) DRD1ELANEITGB1ITGA4FFAR1
SCHEMBL7259514 0.79 ITGB1 (0.41) DRD1ELANEITGB1ITGA4FFAR1
SCHEMBL5261695 0.79 FFAR1 (0.36) DRD1FFAR1ACACB

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
EP-1332132-B1 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES UCB PHARMA SA (BE) 2007-10-10 EP disclosed
US-20030229116-A1 ENAMINE DERIVATIVES UCB PHARMA S.A. (BE) 2003-12-11 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-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 DRD1 816/4885ELANE 229/4885ITGB1 4/4885

“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.