SCHEMBL15744687

SCHEMBL15744687

CC(=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 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 4/20 0.40
▸ CAPN1 P07384 1/20 0.39
▸ F2 P00734 4/20 0.37
▸ GHSR Q92847 1/20 0.36
▸ CRHR1 P34998 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ NMT2 O60551 1/20 0.36
▸ NMT1 P30419 1/20 0.36
▸ PSMB11 A5LHX3 1/20 0.36
▸ PSMA7 O14818 1/20 0.36
▸ PSMB1 P20618 1/20 0.36
▸ PSMA1 P25786 1/20 0.36
▸ PSMA2 P25787 1/20 0.36
▸ PSMA3 P25788 1/20 0.36
▸ PSMA4 P25789 1/20 0.36
▸ PSMB8 P28062 1/20 0.36
▸ PSMB9 P28065 1/20 0.36
▸ PSMA5 P28066 1/20 0.36
▸ PSMB4 P28070 1/20 0.36
▸ PSMB6 P28072 1/20 0.36

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
SCHEMBL15745525 0.94 APLNR (0.36) APLNRCRHR1CRHR2NMT2NMT1
SCHEMBL19084162 0.94 APLNR (0.36) APLNRCAPN1F2GHSRCRHR1
SCHEMBL2623712 0.90 APLNR (0.40) APLNRCAPN1F2CRHR1CRHR2
SCHEMBL26403878 0.88 GRPR (0.43) APLNRCAPN1
SCHEMBL22387819 0.85 CTSS (0.40) CAPN1PSMB11PSMA7PSMB1PSMA1
SCHEMBL15744682 0.82 MMP3 (0.40) APLNRF2GHSRCRHR1CRHR2
SCHEMBL26019657 0.81 CTSS (0.40) APLNRCAPN1PSMB11PSMA7PSMB1
SCHEMBL20648523 0.81 APLNR (0.36) APLNRGHSRMC4R
SCHEMBL15745527 0.81 APLNR (0.37) APLNRGHSRCRHR1CRHR2
SCHEMBL22070349 0.80 APLNR (0.37) APLNRCAPN1F2GHSRCRHR1

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 5 patents. 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
US-20170190700-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same BAKARE OLADAPO (US) 2017-07-06 — — 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 APLNR 1503/4885CAPN1 1328/4885F2 2994/4885
US-20140148377-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same EML4, MCL1, ERAP2 APLNR 1503/4885CAPN1 1328/4885F2 2994/4885
US-20190016716-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same EML4, MCL1, ERAP2 APLNR 1503/4885CAPN1 1328/4885F2 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.

Send feedback