SCHEMBL16507825

SCHEMBL16507825

CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NC)[C@@H](C)CC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.53
▸ BACE1 P56817 1/20 0.45
▸ PSMB5 P28074 2/20 0.44
▸ GLP1R P43220 2/20 0.44
▸ F2 P00734 4/20 0.44
▸ CALCR P30988 3/20 0.43
▸ CRHR1 P34998 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ KISS1R Q969F8 1/20 0.41
▸ SLC2A1 P11166 2/20 0.41
▸ REN P00797 1/20 0.41
▸ CTSD P07339 1/20 0.41

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
SCHEMBL16507912 0.98 APLNR (0.52) APLNRBACE1PSMB5GLP1RF2
SCHEMBL16507772 0.97 APLNR (0.51) APLNRBACE1GLP1RF2CALCR
SCHEMBL16507962 0.97 APLNR (0.52) APLNRBACE1PSMB5GLP1RF2
SCHEMBL16508044 0.94 PSMB5 (0.49) APLNRPSMB5GLP1RF2REN
SCHEMBL16507916 0.93 APLNR (0.52) APLNRBACE1PSMB5GLP1RF2
SCHEMBL16508053 0.93 APLNR (0.52) APLNRBACE1PSMB5GLP1RF2
SCHEMBL16507946 0.91 GLP1R (0.50) APLNRBACE1GLP1RF2CALCR
SCHEMBL16507936 0.91 GLP1R (0.50) APLNRBACE1GLP1RF2CALCR
SCHEMBL16507834 0.90 GLP1R (0.50) APLNRBACE1GLP1RF2CALCR
SCHEMBL16508102 0.86 F2 (0.46) APLNRPSMB5GLP1RF2

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 APLNR 222/4885BACE1 132/4885PSMB5 928/4885

“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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