SCHEMBL16181291

SCHEMBL16181291

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 8/20 0.51
▸ NPY1R P25929 7/20 0.51
▸ NPY5R Q15761 6/20 0.51
▸ NPY2R P49146 3/20 0.51
▸ FURIN P09958 3/20 0.47
▸ ROCK2 O75116 3/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ AKT3 Q9Y243 1/20 0.44
▸ NMT2 O60551 1/20 0.44
▸ NMT1 P30419 1/20 0.44
▸ TFPI P10646 1/20 0.42
▸ CTSL P07711 1/20 0.42

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
SCHEMBL16181289 0.99 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2RFURIN
SCHEMBL16181251 0.95 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RFURIN
SCHEMBL16502370 0.95 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RFURIN
SCHEMBL16502368 0.95 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RFURIN
SCHEMBL16181273 0.95 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RFURIN
SCHEMBL16181295 0.94 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2RFURIN
SCHEMBL16181294 0.93 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RFURIN
SCHEMBL16181276 0.93 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2RFURIN
SCHEMBL16181250 0.92 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2RFURIN
SCHEMBL16181245 0.92 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2RFURIN

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 NPY4R 638/4885NPY1R 540/4885NPY5R 1120/4885

“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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