SCHEMBL4986323

SCHEMBL4986323

Cc1ccc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)c(=O)n1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 4/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KLKB1 P03952 3/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
KLK1 P06870 1/20 0.38
F2 P00734 2/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
PADI4 Q9UM07 1/20 0.37
CAPN1 P07384 1/20 0.37
BRD4 O60885 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4433107 0.89 C3AR1 (0.40) C3AR1KLKB1ITGB1ITGA4ITGB7
SCHEMBL4989795 0.83 C3AR1 (0.56) C3AR1CNR1CNR2BRD4KDM4E
SCHEMBL4989846 0.83 C3AR1 (0.56) C3AR1CNR1CNR2BRD4KDM4E
SCHEMBL14090758 0.83 C3AR1 (0.56) C3AR1CNR1CNR2BRD4KDM4E
SCHEMBL4993499 0.80 C3AR1 (0.55) C3AR1CNR1CNR2BRD4KDM4E
SCHEMBL4990132 0.80 CAPN1 (0.60) C3AR1ITGB1F10CAPN1ITGB3
SCHEMBL4994343 0.80 C3AR1 (0.53) C3AR1CNR1CNR2BRD4KDM4E
SCHEMBL4990514 0.79 C3AR1 (0.54) C3AR1CNR1CNR2BRD4KDM4E
SCHEMBL4991417 0.78 C3AR1 (0.46) C3AR1ITGB1ITGA4ITGB7BRD4
SCHEMBL4994131 0.77 C3AR1 (0.47) C3AR1PADI4BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 C3AR1 1/4885CNR1 27/4885CNR2 42/4885

“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.