SCHEMBL16508126

SCHEMBL16508126

CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.45
▸ OPRL1 P41146 4/20 0.44
▸ NPY5R Q15761 3/20 0.43
▸ NPY1R P25929 2/20 0.43
▸ NPY4R P50391 2/20 0.43
▸ TFPI P10646 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ ECE1 P42892 1/20 0.42
▸ GLP1R P43220 1/20 0.42
▸ MUS81 Q96NY9 1/20 0.42
▸ RAMP3 O60896 3/20 0.42
▸ CALCR P30988 3/20 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
SCHEMBL16507777 0.96 OPRL1 (0.46) TLR2OPRL1TFPIRXFP1ECE1
SCHEMBL16508063 0.96 OPRL1 (0.46) TLR2OPRL1TFPIRXFP1ECE1
SCHEMBL16507754 0.96 OPRL1 (0.46) TLR2OPRL1TFPIRXFP1ECE1
SCHEMBL16507907 0.96 OPRL1 (0.47) OPRL1TFPIRXFP1ECE1GLP1R
SCHEMBL16508107 0.96 NPY5R (0.45) TLR2OPRL1NPY5RNPY1RNPY4R
SCHEMBL16508140 0.96 NPY5R (0.45) TLR2OPRL1NPY5RNPY1RNPY4R
SCHEMBL16508057 0.95 OPRL1 (0.46) TLR2OPRL1TFPIRXFP1ECE1
SCHEMBL16507894 0.94 RXFP1 (0.45) OPRL1NPY5RNPY1RNPY4RTFPI
SCHEMBL16508064 0.94 TFPI (0.49) TLR2OPRL1TFPIRXFP1GLP1R
SCHEMBL16508084 0.93 GLP1R (0.46) TLR2OPRL1NPY5RNPY1RNPY4R

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 TLR2 2742/4885OPRL1 335/4885NPY5R 1478/4885

“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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