SCHEMBL16181277

SCHEMBL16181277

N=C(N)NCCCC(NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.54
▸ FURIN P09958 3/20 0.50
▸ ITGB3 P05106 5/20 0.47
▸ ITGA2B P08514 5/20 0.47
▸ F2 P00734 4/20 0.45
▸ MASP2 O00187 1/20 0.45
▸ CTSL P07711 2/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ F10 P00742 1/20 0.44
▸ PLG P00747 1/20 0.44
▸ KLKB1 P03952 1/20 0.44
▸ PROC P04070 1/20 0.44
▸ F7 P08709 1/20 0.43
▸ TPSAB1 Q15661 1/20 0.43
▸ TMPRSS6 Q8IU80 2/20 0.43

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
SCHEMBL16181256 0.95 NPY1R (0.58) NPY1RFURINITGB3ITGA2BF2
SCHEMBL16181292 0.95 NPY1R (0.54) NPY1RFURINITGB3ITGA2BF2
SCHEMBL16181264 0.92 NPY1R (0.55) NPY1RFURINITGB3ITGA2BF2
SCHEMBL16181287 0.92 NPY1R (0.55) NPY1RFURINF2CTSLF10
SCHEMBL16181262 0.91 NPY1R (0.54) NPY1RFURINF2MASP2CTSL
SCHEMBL16181261 0.90 NPY1R (0.53) NPY1RFURINITGB3ITGA2BF2
SCHEMBL16181288 0.90 NPY1R (0.56) NPY1RFURINITGB3ITGA2BF2
SCHEMBL16181290 0.90 NPY4R (0.54) NPY1RFURINITGB3ITGA2B
SCHEMBL16181609 0.89 FURIN (0.52) NPY1RFURINITGB3ITGA2BF2
SCHEMBL7920067 0.89 FURIN (0.52) NPY1RFURINITGB3ITGA2BF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865865-B2 N-terminally modified tetrapeptide derivatives having a C-terminal arginine mimetic PHILIPPS-UNIVERSITAT MARBURG (DE) 2014-10-21 — — US disclosed
US-20110312873-A1 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC PHILIPPS-UNIVERSITAT MARBURG (DE) 2011-12-22 — — 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-20110312873-A1 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC FURIN, IAPP, APP NPY1R 540/4885FURIN 1/4885ITGB3 3753/4885

“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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