SCHEMBL3141538

SCHEMBL3141538

CN(C)[C@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCC2CCCCC21)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 1/20 0.43
▸ PSMB10 P40306 3/20 0.41
▸ PSMB2 P49721 3/20 0.41
▸ MASP2 O00187 3/20 0.40
▸ KLKB1 P03952 3/20 0.39
▸ MMP1 P03956 4/20 0.38
▸ FCER2 P06734 3/20 0.38
▸ KLK1 P06870 1/20 0.36
▸ CPB2 Q96IY4 2/20 0.36
▸ F2 P00734 1/20 0.36
▸ PRSS1 P07477 1/20 0.36

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
SCHEMBL3141543 1.00 PSMB5 (0.43) PSMB5PSMB10PSMB2MASP2KLKB1
SCHEMBL3141550 1.00 PSMB5 (0.43) PSMB5PSMB10PSMB2MASP2KLKB1
SCHEMBL1908449 0.89 PSMB5 (0.41) PSMB5PSMB10PSMB2MASP2KLKB1
SCHEMBL1908448 0.89 PSMB5 (0.41) PSMB5PSMB10PSMB2MASP2KLKB1
SCHEMBL1908452 0.89 PSMB5 (0.41) PSMB5PSMB10PSMB2MASP2KLKB1
SCHEMBL3148239 0.84 MASP2 (0.43) PSMB5PSMB10PSMB2MASP2CPB2
SCHEMBL1432232 0.84 MASP2 (0.43) PSMB5PSMB10PSMB2MASP2CPB2
SCHEMBL1432229 0.84 MASP2 (0.43) PSMB5PSMB10PSMB2MASP2CPB2
SCHEMBL3154290 0.84 PSMB10 (0.42) PSMB5PSMB10PSMB2MASP2CPB2
SCHEMBL3154294 0.84 PSMB10 (0.42) PSMB5PSMB10PSMB2MASP2CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 — — 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 PSMB5 1741/4885PSMB10 2852/4885PSMB2 2867/4885

“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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