SCHEMBL15744674

SCHEMBL15744674

CCC1CN2CCc3cc(C)c(C)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=O)OCc1ccc(NC(=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](Cc2c[nH]cn2)NC(=O)N2CCOCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ APLNR P35414 1/20 0.34
▸ SLC18A2 Q05940 7/20 0.33
▸ F2 P00734 4/20 0.32
▸ GHSR Q92847 1/20 0.32
▸ CALCR P30988 3/20 0.32
▸ GRPR P30550 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 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 0.98 CRHR1 (0.35) CRHR1CRHR2APLNRSLC18A2F2
SCHEMBL19084167 0.90 APLNR (0.34) CRHR1CRHR2APLNRSLC18A2F2
SCHEMBL15744685 0.88 APLNR (0.36) CRHR1CRHR2APLNRSLC18A2GHSR
SCHEMBL15745527 0.86 APLNR (0.37) CRHR1CRHR2APLNRSLC18A2GHSR
SCHEMBL15745528 0.85 SLC18A2 (0.34) APLNRSLC18A2F2
SCHEMBL19084238 0.84 SLC18A2 (0.33) APLNRSLC18A2F2GHSRCALCR
SCHEMBL26404165 0.84 SLC18A2 (0.33) SLC18A2
SCHEMBL26404291 0.83 SLC18A2 (0.34) APLNRSLC18A2
SCHEMBL15744682 0.79 MMP3 (0.40) CRHR1CRHR2APLNRF2GHSR
SCHEMBL15744730 0.79 APLNR (0.36) APLNRSLC18A2GRPR

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 4 patents. 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
US-20170190700-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same BAKARE OLADAPO (US) 2017-07-06 — — US disclosed
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 (3 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 CRHR1 3307/4885CRHR2 2610/4885APLNR 1503/4885
US-11780833-B2 Emetine derivatives, prodrugs containing same, and methods of treating conditions using same EML4, MCL1, ERAP2 CRHR1 3307/4885CRHR2 2610/4885APLNR 1503/4885
US-20140148377-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same EML4, MCL1, ERAP2 CRHR1 3307/4885CRHR2 2610/4885APLNR 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.

Send feedback