SCHEMBL19084238

SCHEMBL19084238

CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=O)OCc1ccc(NC(=O)N[C@@H](CCC(N)=O)C(=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NCC(=O)[C@H](Cc2c[nH]cn2)NC)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC18A2 Q05940 6/20 0.33
▸ GHSR Q92847 4/20 0.33
▸ F2 P00734 4/20 0.32
▸ APLNR P35414 1/20 0.32
▸ GRPR P30550 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ CALCR P30988 2/20 0.31

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
SCHEMBL15745528 0.93 SLC18A2 (0.34) SLC18A2F2APLNR
SCHEMBL15744730 0.89 APLNR (0.36) SLC18A2APLNRGRPR
SCHEMBL15745484 0.86 CRHR1 (0.35) SLC18A2GHSRF2APLNRGRPR
SCHEMBL15744674 0.84 CRHR1 (0.34) SLC18A2GHSRF2APLNRGRPR
SCHEMBL19084167 0.78 APLNR (0.34) SLC18A2GHSRF2APLNRGRPR
SCHEMBL15745527 0.76 APLNR (0.37) SLC18A2GHSRAPLNR
SCHEMBL26404165 0.76 SLC18A2 (0.33) SLC18A2
SCHEMBL15744685 0.74 APLNR (0.36) SLC18A2GHSRAPLNR
SCHEMBL26404291 0.73 SLC18A2 (0.34) SLC18A2APLNR
SCHEMBL26554013 0.70 HTR1A (0.43) SLC18A2

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-20170190700-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same BAKARE OLADAPO (US) 2017-07-06 — — 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-20170190700-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same EML4, MCL1, ERAP2 SLC18A2 1893/4885GHSR 3922/4885F2 2994/4885

“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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