SCHEMBL20648523

SCHEMBL20648523

CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1C1Cc2cc(OC)c(OC)cc2CCN1C(=O)N(C)CCNC(=O)C(CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)N1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 3/20 0.36
▸ GHSR Q92847 1/20 0.35
▸ SLC18A2 Q05940 1/20 0.34
▸ MC4R P32245 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
SCHEMBL15745527 0.92 APLNR (0.37) APLNRGHSRSLC18A2
SCHEMBL15744685 0.90 APLNR (0.36) APLNRGHSRSLC18A2
SCHEMBL19084167 0.88 APLNR (0.34) APLNRGHSRSLC18A2MC4R
SCHEMBL26404291 0.88 SLC18A2 (0.34) APLNRSLC18A2
SCHEMBL15744687 0.81 APLNR (0.40) APLNRGHSRMC4R
SCHEMBL15745484 0.80 CRHR1 (0.35) APLNRGHSRSLC18A2
SCHEMBL15744674 0.79 CRHR1 (0.34) APLNRGHSRSLC18A2
SCHEMBL19084162 0.77 APLNR (0.36) APLNRGHSR
SCHEMBL15745525 0.76 APLNR (0.36) APLNR
SCHEMBL2623712 0.75 APLNR (0.40) APLNR

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-20190016716-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same HOWARD UNIVERSITY 2019-01-17 — — 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-20190016716-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same EML4, MCL1, ERAP2 APLNR 1503/4885GHSR 3922/4885SLC18A2 1893/4885

“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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