SCHEMBL15745525

SCHEMBL15745525

CC(=O)N(C)CCNC(=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](Cc1c[nH]cn1)NC(=O)N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 3/20 0.36
▸ CRHR1 P34998 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ NMT2 O60551 1/20 0.35
▸ NMT1 P30419 1/20 0.35
▸ CALCR P30988 4/20 0.35
▸ GRPR P30550 4/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSH P09668 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ C5AR1 P21730 1/20 0.34
▸ GLP1R P43220 1/20 0.34

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
SCHEMBL15744687 0.94 APLNR (0.40) APLNRCRHR1CRHR2NMT2NMT1
SCHEMBL19084162 0.94 APLNR (0.36) APLNRCRHR1CRHR2NMT2NMT1
SCHEMBL2623712 0.84 APLNR (0.40) APLNRCRHR1CRHR2CTSLCTSH
SCHEMBL26403878 0.82 GRPR (0.43) APLNRGRPR
SCHEMBL15745544 0.82 CRHR1 (0.37) APLNRCRHR1CRHR2CALCRGRPR
SCHEMBL26019657 0.82 CTSS (0.40) APLNRCTSLCTSHCTSSCTSK
SCHEMBL22387819 0.80 CTSS (0.40) CTSLCTSHCTSSCTSK
SCHEMBL15744682 0.77 MMP3 (0.40) APLNRCRHR1CRHR2CALCRGRPR
SCHEMBL26404291 0.77 SLC18A2 (0.34) APLNR
SCHEMBL20648523 0.76 APLNR (0.36) 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 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 APLNR 1503/4885CRHR1 3307/4885CRHR2 2610/4885
US-20140148377-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same EML4, MCL1, ERAP2 APLNR 1503/4885CRHR1 3307/4885CRHR2 2610/4885

“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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