SCHEMBL4425979

SCHEMBL4425979

N=C(N)NCCC[C@H](NC(=O)c1cccn(C(c2ccccc2)c2ccccc2)c1=O)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PADI1 Q9ULC6 8/20 0.40
PADI4 Q9UM07 8/20 0.40
PADI3 Q9ULW8 6/20 0.40
C3AR1 Q16581 2/20 0.40
PADI2 Q9Y2J8 5/20 0.39
PDE4A P27815 3/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PADI6 Q6TGC4 1/20 0.38
PDPK1 O15530 1/20 0.35
NPY4R P50391 4/20 0.34
NPY1R P25929 3/20 0.34
NPY2R P49146 3/20 0.34
NPY5R Q15761 3/20 0.34
CAPN1 P07384 2/20 0.34
CTSB P07858 2/20 0.34
MAPK14 Q16539 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL4991622 0.94 C3AR1 (0.45) C3AR1PDPK1
SCHEMBL4566055 0.94 C3AR1 (0.45) C3AR1PDPK1
SCHEMBL4990654 0.91 C3AR1 (0.45) C3AR1PDPK1
SCHEMBL14090906 0.91 CA1 (0.39) C3AR1PDPK1NPY4RNPY1RCAPN1
SCHEMBL4992633 0.88 C3AR1 (0.42) C3AR1PDPK1EPHX2
SCHEMBL4986529 0.87 C3AR1 (0.43) C3AR1PDPK1
SCHEMBL14090910 0.87 PADI1 (0.37) PADI1PADI4PADI3C3AR1PADI2
SCHEMBL4984022 0.87 ITGB3 (0.39) C3AR1PDPK1EPHX2
SCHEMBL4988251 0.85 PDPK1 (0.45) C3AR1PDPK1
SCHEMBL4989792 0.85 C3AR1 (0.40) PADI1PADI4PADI3C3AR1PADI2

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-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 PADI1 2609/4885PADI4 2431/4885PADI3 2430/4885

“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.