SCHEMBL3018329

SCHEMBL3018329

COC(=O)C(CNC(=O)CN[C@@H](C)c1ccccc1)NC(=O)c1ccc(C#CC=Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.40
GPR139 Q6DWJ6 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
MAOB P27338 3/20 0.37
AOC3 Q16853 3/20 0.37
DAO P14920 2/20 0.37

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
SCHEMBL3018325 1.00 OPRK1 (0.40) OPRK1GPR139GAARAB9ATAS1R3
SCHEMBL3018332 1.00 OPRK1 (0.40) OPRK1GPR139GAARAB9ATAS1R3
SCHEMBL13245203 0.91 GPR139 (0.39) GPR139
SCHEMBL3022799 0.91 GPR139 (0.39) GPR139
SCHEMBL3022803 0.91 GPR139 (0.39) GPR139
SCHEMBL13984507 0.88 OPRK1 (0.46) OPRK1GPR139GAARAB9ATAS1R3
SCHEMBL3019958 0.86 GAA (0.41) GAARAB9ATAS1R3TAS1R1
SCHEMBL3019961 0.86 GAA (0.41) GAARAB9ATAS1R3TAS1R1
SCHEMBL3019955 0.86 GAA (0.41) GAARAB9ATAS1R3TAS1R1
SCHEMBL3014588 0.85 GAA (0.38) GAARAB9ATAS1R3TAS1R1

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-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 OPRK1 562/4885GPR139 3853/4885GAA 70/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 OPRK1 562/4885GPR139 3853/4885GAA 70/4885

“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.