SCHEMBL21249569

SCHEMBL21249569

CCCC[C@H](NC(=O)c1cc(-c2c(OC)ccc(COC(=O)CNC(=O)[C@H](CCCC)NC(=O)c3cc(-c4c(OC)cccc4OC)n(C(C)C(C)C)n3)c2OC)n(CC(C)C)n1)C(=O)NCC(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 18/20 0.51
▸ NTSR1 P30989 2/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33

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
SCHEMBL21249507 0.86 APLNR (0.49) APLNR
SCHEMBL21229196 0.86 APLNR (0.65) APLNRNTSR1OPRM1OPRD1
SCHEMBL17326464 0.86 APLNR (0.65) APLNRNTSR1OPRM1OPRD1
SCHEMBL17326466 0.86 APLNR (0.49) APLNR
SCHEMBL21468240 0.82 APLNR (0.49) APLNR
SCHEMBL17326455 0.80 APLNR (0.59) APLNR
SCHEMBL21468236 0.80 APLNR (0.52) APLNRNTSR1OPRM1OPRD1
SCHEMBL21249643 0.80 APLNR (0.60) APLNR
SCHEMBL17326451 0.80 APLNR (0.57) APLNR
SCHEMBL17326315 0.78 APLNR (0.49) APLNRNTSR1OPRM1OPRD1

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-10377718-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2019-08-13 — — 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-10377718-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP APLNR 1/4885NTSR1 15/4885OPRM1 172/4885

“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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