SCHEMBL19003817

SCHEMBL19003817

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 5/20 0.63
▸ NTSR2 O95665 1/20 0.63
▸ NPY1R P25929 3/20 0.60
▸ F2 P00734 4/20 0.59
▸ NPY2R P49146 1/20 0.58
▸ NPY4R P50391 1/20 0.58
▸ NPY5R Q15761 1/20 0.58
▸ NMUR2 Q9GZQ4 1/20 0.58
▸ OPRD1 P41143 1/20 0.56

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
SCHEMBL30584171 0.92 NTSR1 (0.60) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL20459044 0.92 NTSR1 (0.61) NTSR1NTSR2NPY1RF2NPY2R
SCHEMBL30584170 0.91 NTSR1 (0.59) NTSR1NTSR2NPY1RF2NPY2R
SCHEMBL30584172 0.91 NPY1R (0.59) NTSR1NTSR2NPY1RF2NPY2R
SCHEMBL29420244 0.90 NTSR1 (0.61) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL29387174 0.89 NPY1R (0.62) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL29611524 0.89 NPY1R (0.62) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL29612137 0.89 NPY1R (0.62) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL20707335 0.89 NPY1R (0.62) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL29611692 0.89 NPY1R (0.62) NTSR1NTSR2NPY1RNPY2RNPY4R

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-20170174725-A1 PROCESSES FOR THE PREPARATION OF OXYTOCIN ANALOGUES HOFFMANN-LA ROCHE INC. (US) 2017-06-22 — — 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-20170174725-A1 PROCESSES FOR THE PREPARATION OF OXYTOCIN ANALOGUES OXTR, AVPR1A, AVPR1B NTSR1 52/4885NTSR2 56/4885NPY1R 22/4885

“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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