SCHEMBL16358940

SCHEMBL16358940

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(N)=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.38
▸ CRHR1 P34998 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ GRPR P30550 1/20 0.37
▸ CALCR P30988 3/20 0.36

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
SCHEMBL16507942 0.98 ACE (0.39) ACECRHR1CRHR2GRPRCALCR
SCHEMBL16359347 0.91 ACE (0.46) ACE
SCHEMBL16358941 0.91 ACE (0.46) ACE
SCHEMBL16507899 0.89 PTPN1 (0.44) ACE
SCHEMBL16507850 0.84 NPY4R (0.47) ACECRHR1CRHR2
SCHEMBL31020877 0.80 ACE (0.47) ACE
SCHEMBL16507827 0.80 ACE (0.49) ACE
SCHEMBL13363654 0.79 ACE (0.49) ACE
SCHEMBL16508075 0.78 NPY4R (0.53) —
SCHEMBL29790444 0.76 NPY4R (0.48) —

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-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS ANTHOR THERAPEUTICS, INC. 2011-12-01 — — US disclosed
WO-2010053548-A2 PTHR1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 — — WO 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 3206/4885CRHR1 210/4885CRHR2 595/4885

“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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