SCHEMBL15745544

SCHEMBL15745544

CC(=O)OCc1ccc(NC(=O)C(CCC(N)=O)NC(=O)[C@H](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 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ GRPR P30550 4/20 0.37
▸ CALCR P30988 4/20 0.35
▸ APLNR P35414 2/20 0.35
▸ GLP1R P43220 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ F2 P00734 2/20 0.34
▸ GHSR Q92847 1/20 0.33
▸ NMBR P28336 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 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
SCHEMBL15744682 0.95 MMP3 (0.40) CRHR1CRHR2GRPRCALCRAPLNR
SCHEMBL26403817 0.83 MMP3 (0.42) GRPRAPLNRMMP3
SCHEMBL15745525 0.82 APLNR (0.36) CRHR1CRHR2GRPRCALCRAPLNR
SCHEMBL2623712 0.82 APLNR (0.40) CRHR1CRHR2APLNRF2
SCHEMBL26019657 0.80 CTSS (0.40) APLNR
SCHEMBL22387819 0.78 CTSS (0.40) —
SCHEMBL15744687 0.77 APLNR (0.40) CRHR1CRHR2APLNRF2GHSR
SCHEMBL19084167 0.77 APLNR (0.34) CRHR1CRHR2GRPRCALCRAPLNR
SCHEMBL19084162 0.77 APLNR (0.36) CRHR1CRHR2APLNRF2GHSR
SCHEMBL15745484 0.77 CRHR1 (0.35) CRHR1CRHR2GRPRCALCRAPLNR

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 3 patents. 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
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 (2 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 2610/4885GRPR 2713/4885
US-20140148377-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same EML4, MCL1, ERAP2 CRHR1 3307/4885CRHR2 2610/4885GRPR 2713/4885

“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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