SCHEMBL15745528

SCHEMBL15745528

CCC(=O)[C@H](Cc1c[nH]cn1)NN[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)[C@H](CCC(N)=O)NC(=O)Nc1ccc(COC(=O)N2CCc3cc(OC)c(OC)cc3C2CC2CC3c4cc(OC)c(OC)cc4CCN3CC2CC)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A2 Q05940 11/20 0.34
▸ F2 P00734 4/20 0.32
▸ APLNR P35414 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ STAT6 P42226 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RBBP9 O75884 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA2A P08913 1/20 0.32

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
SCHEMBL19084238 0.93 SLC18A2 (0.33) SLC18A2F2APLNR
SCHEMBL15745484 0.87 CRHR1 (0.35) SLC18A2F2APLNR
SCHEMBL15744730 0.87 APLNR (0.36) SLC18A2APLNR
SCHEMBL15744674 0.85 CRHR1 (0.34) SLC18A2F2APLNR
SCHEMBL19084167 0.79 APLNR (0.34) SLC18A2F2APLNR
SCHEMBL15745527 0.77 APLNR (0.37) SLC18A2APLNR
SCHEMBL15744685 0.76 APLNR (0.36) SLC18A2APLNR
SCHEMBL26404165 0.76 SLC18A2 (0.33) SLC18A2CYP3A4MAPK1HIF1AMEN1
SCHEMBL26404291 0.75 SLC18A2 (0.34) SLC18A2APLNRCYP3A4MAPK1HIF1A
SCHEMBL26554013 0.71 HTR1A (0.43) SLC18A2CYP3A4MAPK1HIF1AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9492560-B2 Emetine derivatives, prodrugs containing same, and methods of treating conditions using same HOWARD UNIVERSITY 2016-11-15 — — US disclosed
US-20140148377-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same HOWARD UNIVERSITY 2014-05-29 — — 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-20140148377-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same EML4, MCL1, ERAP2 SLC18A2 1893/4885F2 2994/4885APLNR 1503/4885

“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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