SCHEMBL4997732

SCHEMBL4997732

N=C(N)NCCC[C@H](NC(=O)c1ccn(C(c2ccccc2)c2ccccc2)c(=O)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 17/20 0.45
▸ F10 P00742 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PADI6 Q6TGC4 1/20 0.35
▸ PADI1 Q9ULC6 1/20 0.35
▸ PADI3 Q9ULW8 1/20 0.35
▸ PADI4 Q9UM07 1/20 0.35
▸ PADI2 Q9Y2J8 1/20 0.35

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
SCHEMBL4986857 0.85 C3AR1 (0.45) C3AR1F10PRSS1CA2
SCHEMBL4996193 0.83 PRMT5 (0.45) C3AR1F10PRSS1CA1CA2
SCHEMBL4991622 0.82 C3AR1 (0.45) C3AR1
SCHEMBL4566055 0.82 C3AR1 (0.45) C3AR1
SCHEMBL7925397 0.80 C3AR1 (0.52) C3AR1CA1CA2PDE4APDE4B
SCHEMBL188589 0.80 C3AR1 (0.52) C3AR1CA1CA2PDE4APDE4B
SCHEMBL188590 0.80 C3AR1 (0.52) C3AR1CA1CA2PDE4APDE4B
SCHEMBL4990654 0.79 C3AR1 (0.45) C3AR1
Naphthalene SCHEMBL28216957 0.77 C3AR1 (0.49) C3AR1CA1CA2PDE4APDE4B
SCHEMBL14147095 0.76 C3AR1 (0.42) C3AR1

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 1/4885F10 432/4885PRSS1 422/4885

“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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