SCHEMBL26404165

SCHEMBL26404165

CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=O)OCc1ccc(NC(=O)C(CCC(N)=O)NC(=O)[C@H](CC)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)N2CCOCC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A2 Q05940 7/20 0.33
▸ MEN1 O00255 6/20 0.32
▸ KMT2A Q03164 6/20 0.32
▸ HIF1A Q16665 5/20 0.32
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ MAPK1 P28482 3/20 0.32
▸ LMNA P02545 3/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ STAT6 P42226 2/20 0.32
▸ EPAS1 Q99814 2/20 0.32
▸ SLC2A1 P11166 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RBBP9 O75884 1/20 0.32
▸ ABCB1 P08183 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
SCHEMBL15745484 0.85 CRHR1 (0.35) SLC18A2
SCHEMBL26404291 0.77 SLC18A2 (0.34) SLC18A2MEN1KMT2AHIF1ASMN1; SMN2
SCHEMBL19084167 0.77 APLNR (0.34) SLC18A2
SCHEMBL15744730 0.77 APLNR (0.36) SLC18A2
SCHEMBL26554013 0.77 HTR1A (0.43) SLC18A2MEN1KMT2AHIF1ASMN1; SMN2
SCHEMBL15745528 0.76 SLC18A2 (0.34) SLC18A2MEN1KMT2AHIF1ACYP3A4
SCHEMBL19075836 0.75 MEN1 (0.50) SLC18A2MEN1KMT2AHIF1ASMN1; SMN2
SCHEMBL19075837 0.74 MEN1 (0.49) SLC18A2MEN1KMT2AHIF1ASMN1; SMN2
SCHEMBL14135535 0.71 MEN1 (0.53) SLC18A2MEN1KMT2AHIF1ASMN1; SMN2
SCHEMBL15744675 0.71 CYP3A4 (0.54) SLC18A2MEN1KMT2AHIF1ASMN1; SMN2

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-11780833-B2 Emetine derivatives, prodrugs containing same, and methods of treating conditions using same HOWARD UNIVERSITY (US) 2023-10-10 — — 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-11780833-B2 Emetine derivatives, prodrugs containing same, and methods of treating conditions using same EML4, MCL1, ERAP2 SLC18A2 1893/4885MEN1 178/4885KMT2A 506/4885

“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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