SCHEMBL5262867

SCHEMBL5262867

CCC1=C(N[C@@](CC)(Cc2ccc(Nc3nc(CC)cc4ccccc34)cc2)C(=O)O)CCC1=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.32
MAPT P10636 5/20 0.32
MEN1 O00255 3/20 0.32
GAA P10253 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
NPY5R Q15761 3/20 0.32
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 4/20 0.31
EGFR P00533 2/20 0.31
KDR P35968 2/20 0.31
HPGD P15428 2/20 0.31
POLB P06746 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL5262865 0.77 MAPT (0.33) PDE4BMAPTMEN1GAAKMT2A
SCHEMBL5259526 0.76 NPY5R (0.39) PDE4BMAPTMEN1GAAKMT2A
SCHEMBL5259522 0.76 NPY5R (0.39) PDE4BMAPTMEN1GAAKMT2A
SCHEMBL7716161 0.70 MAPT (0.36) PDE4BMAPTMEN1GAAKMT2A
SCHEMBL7718422 0.69 SLC7A5 (0.45) PDE4BMAPTMEN1GAAKMT2A
SCHEMBL7718430 0.69 SLC7A5 (0.45) PDE4BMAPTMEN1GAAKMT2A
SCHEMBL7715530 0.69 ACP1 (0.32) PDE4BSMN1; SMN2KDM4EHPGDPOLB
SCHEMBL5263897 0.68 PRMT3 (0.32) MEN1KMT2ANPY5R
SCHEMBL7716185 0.67 TP53 (0.33) MAPTMEN1KMT2ANPSR1TP53
SCHEMBL7716450 0.67 ACE (0.52)

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 5 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-6780874-B2 AUTOIMMUNE DISEASE; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE AGENT CELLTECH R & D LIMITED (GB) 2004-08-24 US disclosed
US-20030229116-A1 ENAMINE DERIVATIVES UCB PHARMA S.A. (BE) 2003-12-11 US disclosed
US-6610700-B2 Inhibit binding of integrins to their ligands, use in immune or inflammatory disorders; 3-(4-((2,6-Naphthyridinyl)amino)-phenyl)-2-((2-(1-ethylpropyl)-3-oxo-1 -cyclopentenyl) amino)-propionic acid, for example CELLTECH R & D LIMITED (GB) 2003-08-26 US disclosed
US-20020037909-A1 Enamine derivatives UCB PHARMA S.A. (BE) 2002-03-28 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 (2 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-20020037909-A1 Enamine derivatives CCR1, ITGB2, CCR10 PDE4B 4503/4885MAPT 4805/4885MEN1 4755/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 PDE4B 4622/4885MAPT 4784/4885MEN1 4761/4885

“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.