SCHEMBL3154337

SCHEMBL3154337

CC(C)[C@@H](N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 3/20 0.47
OPRD1 P41143 1/20 0.46
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MMP9 P14780 2/20 0.43
MMP8 P22894 2/20 0.43
MMP14 P50281 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
MMP2 P08253 1/20 0.42
KLKB1 P03952 1/20 0.41
ANPEP P15144 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
CYP3A4 P08684 1/20 0.40
LCK P06239 1/20 0.39

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
SCHEMBL3154370 1.00 MASP2 (0.47) MASP2OPRD1MMEACECPA1
SCHEMBL1431845 0.92 MME (0.51) MASP2OPRD1MMEACECPA1
SCHEMBL1904790 0.87 OPRD1 (0.48) MASP2OPRD1MMEACECPA1
SCHEMBL1906797 0.87 OPRD1 (0.47) MASP2OPRD1MMEACECPA1
SCHEMBL1906792 0.87 OPRD1 (0.47) MASP2OPRD1MMEACECPA1
Trifluoroacetic Acid SCHEMBL1432755 0.86 MME (0.48) MASP2OPRD1MMEACECPA1
SCHEMBL1906788 0.85 KLKB1 (0.49) CTSSCTSKHRH4KLKB1ANPEP
SCHEMBL1906790 0.85 KLKB1 (0.49) CTSSCTSKHRH4KLKB1ANPEP
SCHEMBL1901459 0.84 OPRD1 (0.45) MASP2OPRD1MMEACECPA1
SCHEMBL1901695 0.84 MME (0.48) MASP2OPRD1MMEACECPA1

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 MASP2 3039/4885OPRD1 151/4885MME 4329/4885

“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.