SCHEMBL3149782

SCHEMBL3149782

CC(C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(N)nc1)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 3/20 0.39
▸ MASP2 O00187 3/20 0.39
▸ PSMB5 P28074 1/20 0.38
▸ EHMT2 Q96KQ7 1/20 0.38
▸ FURIN P09958 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MME P08473 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ CPA1 P15085 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ MCHR1 Q99705 2/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ PLG P00747 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 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
SCHEMBL1432254 1.00 KLKB1 (0.39) KLKB1MASP2PSMB5EHMT2FURIN
SCHEMBL1432578 1.00 KLKB1 (0.39) KLKB1MASP2PSMB5EHMT2FURIN
SCHEMBL1433110 0.91 MAPK14 (0.45) KLKB1MASP2FURINKMT2AMAPK14
SCHEMBL1431920 0.90 EHMT2 (0.47) KLKB1MASP2EHMT2FURINMEN1
SCHEMBL3139985 0.90 EHMT2 (0.47) KLKB1MASP2EHMT2FURINMEN1
SCHEMBL1432213 0.90 EHMT2 (0.47) KLKB1MASP2EHMT2FURINMEN1
SCHEMBL1432137 0.87 EHMT2 (0.44) KLKB1MASP2EHMT2FURINMEN1
SCHEMBL1432560 0.86 EHMT2 (0.41) KLKB1MASP2PSMB5EHMT2FURIN
SCHEMBL3155074 0.85 PSMB5 (0.41) PSMB5
SCHEMBL3144759 0.85 PDPK1 (0.41) KLKB1MASP2PSMB5EHMT2FURIN

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 KLKB1 3491/4885MASP2 3039/4885PSMB5 1741/4885

“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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