SCHEMBL16502370

SCHEMBL16502370

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 7/20 0.49
▸ NPY5R Q15761 6/20 0.49
▸ NPY1R P25929 5/20 0.49
▸ NPY2R P49146 3/20 0.49
▸ CTSL P07711 1/20 0.49
▸ TLR2 O60603 2/20 0.47
▸ ROCK2 O75116 3/20 0.45
▸ PRKACA P17612 1/20 0.45
▸ AKT3 Q9Y243 1/20 0.45
▸ NMT2 O60551 1/20 0.45
▸ NMT1 P30419 1/20 0.45
▸ GRIA1 P42261 1/20 0.44
▸ FURIN P09958 2/20 0.43
▸ RXFP1 Q9HBX9 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
SCHEMBL16181251 1.00 NPY4R (0.49) NPY4RNPY5RNPY1RNPY2RCTSL
SCHEMBL16502368 1.00 NPY4R (0.49) NPY4RNPY5RNPY1RNPY2RCTSL
SCHEMBL16181289 0.96 NPY4R (0.53) NPY4RNPY5RNPY1RNPY2RCTSL
SCHEMBL16181243 0.96 NPY4R (0.53) NPY4RNPY5RNPY1RNPY2RCTSL
SCHEMBL16181280 0.96 NPY4R (0.53) NPY4RNPY5RNPY1RNPY2RCTSL
SCHEMBL16502366 0.96 NPY4R (0.53) NPY4RNPY5RNPY1RNPY2RCTSL
SCHEMBL16181245 0.96 NPY4R (0.53) NPY4RNPY5RNPY1RNPY2RCTSL
SCHEMBL16181246 0.96 NPY4R (0.53) NPY4RNPY5RNPY1RNPY2RCTSL
SCHEMBL16181250 0.96 NPY4R (0.53) NPY4RNPY5RNPY1RNPY2RCTSL
SCHEMBL16181291 0.95 NPY4R (0.51) NPY4RNPY5RNPY1RNPY2RCTSL

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-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 638/4885NPY5R 1120/4885NPY1R 540/4885

“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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