SCHEMBL16507942

SCHEMBL16507942

CC[C@H](C)[C@H](NC(=O)CCc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.39
▸ NPY5R Q15761 4/20 0.38
▸ NPY1R P25929 3/20 0.38
▸ NPY4R P50391 3/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ CRHR1 P34998 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ CCKAR P32238 1/20 0.37
▸ CALCR P30988 3/20 0.37
▸ GRPR P30550 1/20 0.37
▸ CCKBR P32239 3/20 0.37

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
SCHEMBL16358940 0.98 ACE (0.38) ACECRHR1CRHR2CALCRGRPR
SCHEMBL16358941 0.91 ACE (0.46) ACENPY5RNPY1RNPY4RNPY2R
SCHEMBL16359347 0.91 ACE (0.46) ACENPY5RNPY1RNPY4RNPY2R
SCHEMBL16507899 0.86 PTPN1 (0.44) ACENPY4R
SCHEMBL16507850 0.85 NPY4R (0.47) ACENPY4RCRHR1CRHR2
SCHEMBL31020877 0.81 ACE (0.47) ACENPY5RNPY1RNPY4RNPY2R
SCHEMBL16507827 0.81 ACE (0.49) ACENPY4R
SCHEMBL16508075 0.80 NPY4R (0.53) NPY5RNPY1RNPY4RNPY2R
SCHEMBL13363654 0.80 ACE (0.49) ACENPY4R
SCHEMBL16508123 0.77 REN (0.38) GRPRCCKBR

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-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS ANTHOR THERAPEUTICS, INC. 2011-12-01 — — 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-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS PTH1R, MC1R, CASR ACE 3206/4885NPY5R 1478/4885NPY1R 800/4885

“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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