SCHEMBL4996193

SCHEMBL4996193

N=C(N)NCCC[C@H](NC(=O)c1ccn(Cc2ccccc2)c(=O)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.45
▸ C3AR1 Q16581 3/20 0.40
▸ MAPK8 P45983 3/20 0.40
▸ PADI6 Q6TGC4 1/20 0.40
▸ F10 P00742 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ ACHE P22303 2/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ERAP2 Q6P179 2/20 0.39
▸ LNPEP Q9UIQ6 2/20 0.39
▸ ALB P02768 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ PADI4 Q9UM07 2/20 0.38
▸ AGTR2 P50052 1/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ PADI2 Q9Y2J8 1/20 0.38

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
SCHEMBL4986587 0.85 BRD4 (0.52) C3AR1MAPK8ACHEBCHEALB
SCHEMBL4997732 0.83 C3AR1 (0.45) C3AR1PADI6F10PRSS1PADI4
SCHEMBL4989846 0.82 C3AR1 (0.56) C3AR1
SCHEMBL14090758 0.82 C3AR1 (0.56) C3AR1
SCHEMBL4989795 0.82 C3AR1 (0.56) C3AR1
SCHEMBL7925397 0.80 C3AR1 (0.52) C3AR1PADI6ALBPADI4CA1
SCHEMBL188590 0.80 C3AR1 (0.52) C3AR1PADI6ALBPADI4CA1
SCHEMBL188589 0.80 C3AR1 (0.52) C3AR1PADI6ALBPADI4CA1
SCHEMBL4987830 0.80 PRSS1 (0.48) C3AR1PADI6F10PRSS1ERAP2
SCHEMBL14090765 0.80 PRSS1 (0.48) C3AR1PADI6F10PRSS1ERAP2

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 PRMT5 1542/4885C3AR1 1/4885MAPK8 3294/4885

“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.

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