SCHEMBL16181262

SCHEMBL16181262

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 3/20 0.54
▸ CHRNA1 P02708 4/20 0.51
▸ CHRNG P07510 4/20 0.51
▸ CHRNB1 P11230 4/20 0.51
▸ CHRND Q07001 4/20 0.51
▸ FURIN P09958 3/20 0.50
▸ GRIN1 Q05586 2/20 0.50
▸ GRIN2A Q12879 2/20 0.50
▸ CTSL P07711 1/20 0.47
▸ GRIA1 P42261 1/20 0.47
▸ TLR2 O60603 1/20 0.46
▸ F2 P00734 2/20 0.45
▸ MASP2 O00187 1/20 0.45
▸ F7 P08709 1/20 0.45
▸ F3 P13726 1/20 0.45
▸ NMT2 O60551 3/20 0.45
▸ NMT1 P30419 3/20 0.45

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) NPY1RCHRNA1CHRNGCHRNB1CHRND
SCHEMBL16181263 0.94 FURIN (0.49) NPY1RCHRNA1CHRNGCHRNB1CHRND
SCHEMBL16181249 0.94 FURIN (0.49) NPY1RCHRNA1CHRNGCHRNB1CHRND
SCHEMBL16181287 0.92 NPY1R (0.55) NPY1RCHRNA1CHRNGCHRNB1CHRND
SCHEMBL16181264 0.92 NPY1R (0.55) NPY1RFURINCTSLF2MASP2
SCHEMBL16181292 0.91 NPY1R (0.54) NPY1RFURINCTSLF2MASP2
SCHEMBL16181277 0.91 NPY1R (0.54) NPY1RFURINCTSLF2MASP2
SCHEMBL16181261 0.90 NPY1R (0.53) NPY1RFURINF2MASP2
SCHEMBL16181288 0.90 NPY1R (0.56) NPY1RCHRNA1CHRNGCHRNB1CHRND
SCHEMBL16181290 0.90 NPY4R (0.54) NPY1RFURIN

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 540/4885CHRNA1 4540/4885CHRNG 3443/4885

“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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