SCHEMBL5264792

SCHEMBL5264792

CCOC(=O)C(N)Cc1ccc(Oc2nc(C)cc3ccncc23)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
CYP1A2 P05177 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DRD1 P21728 1/20 0.33
LMNA P02545 1/20 0.32
PRNP P04156 1/20 0.32
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
AKT1 P31749 1/20 0.31
HTT P42858 1/20 0.31
NLRP3 Q96P20 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDR P35968 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
SCHEMBL5149326 0.87 SCN9A (0.38) SCN9APPARGPPARATSHRSMN1; SMN2
SCHEMBL5260171 0.82 SCN9A (0.43) SCN9APPARGPPARACYP1A2KDM4E
SCHEMBL5260655 0.79 NLRP3 (0.34) PPARGPPARADRD1NLRP3
SCHEMBL5264794 0.78 SLC22A12 (0.33) PPARGPPARACYP1A2KDM4EALDH1A1
SCHEMBL5262517 0.77 NLRP3 (0.33) PPARGPPARANLRP3
SCHEMBL5262851 0.77 NLRP3 (0.33) NLRP3
SCHEMBL6537259 0.77 TPH1 (0.41) PPARGKDM4EHSD17B10HIF1A
SCHEMBL2984999 0.77 TPH1 (0.41) PPARGKDM4EHSD17B10HIF1A
SCHEMBL5258864 0.77 DRD1 (0.41) SCN9APPARGPPARAKDM4EALDH1A1
SCHEMBL5258853 0.77 DRD1 (0.41) SCN9APPARGPPARAKDM4EALDH1A1

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 SCN9A 3279/4885PPARG 407/4885PPARA 623/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 SCN9A 3357/4885PPARG 474/4885PPARA 698/4885

“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.