SCHEMBL5966514

SCHEMBL5966514

COC(=O)C(CCCc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.51
▸ HRH2 P25021 1/20 0.48
▸ HRH4 Q9H3N8 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ REN P00797 4/20 0.48
▸ PARP1 P09874 1/20 0.47
▸ PARP3 Q9Y6F1 1/20 0.47
▸ SLC15A2 Q16348 1/20 0.46

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
SCHEMBL5966511 1.00 S1PR1 (0.51) S1PR1HRH2HRH4HRH3REN
SCHEMBL27608488 0.91 SLC15A2 (0.56) S1PR1HRH2HRH4HRH3REN
SCHEMBL27608485 0.91 SLC15A2 (0.56) S1PR1HRH2HRH4HRH3REN
SCHEMBL5966449 0.86 REN (0.57) REN
SCHEMBL5966455 0.86 REN (0.57) REN
SCHEMBL27352063 0.83 SLC6A5 (0.54) S1PR1REN
Triletide SCHEMBL29387766 0.79 REN (0.68) REN
Triletide SCHEMBL27342203 0.79 REN (0.68) REN
Triletide SCHEMBL29403076 0.79 REN (0.68) REN
SCHEMBL27608533 0.78 REN (0.56) REN

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-20060128613-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-06-15 — — 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-20060128613-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R S1PR1 472/4885HRH2 162/4885HRH4 41/4885

“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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