SCHEMBL1764468

SCHEMBL1764468

CC(C)(C)OC(=O)NCC[C@H](O)C(=O)O.[LiH]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
GAA P10253 1/20 0.63
KMT2A Q03164 1/20 0.63
TDP1 Q9NUW8 1/20 0.49
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
EPHX1 P07099 1/20 0.41
CTSS P25774 4/20 0.39
CTSK P43235 4/20 0.39
MALT1 Q9UDY8 1/20 0.39
IDO1 P14902 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNA5 P22460 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 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
SCHEMBL570909 0.98 MEN1 (0.65) MEN1GAAKMT2ATDP1MAOA
SCHEMBL21056310 0.98 MEN1 (0.65) MEN1GAAKMT2ATDP1MAOA
SCHEMBL2636479 0.98 MEN1 (0.65) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4820803 0.88 MEN1 (0.76) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4820814 0.88 MEN1 (0.76) MEN1GAAKMT2ATDP1MAOA
SCHEMBL6823852 0.87 MEN1 (0.69) MEN1GAAKMT2ATDP1MAOA
SCHEMBL2032033 0.87 MEN1 (0.69) MEN1GAAKMT2ATDP1MAOA
SCHEMBL6915542 0.85 MEN1 (0.57) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4670568 0.84 MEN1 (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL15198752 0.84 MEN1 (0.56) MEN1GAAKMT2ATDP1MAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124677-A1 AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-05-26 US disclosed
EP-2001876-B1 8-AZABICYCLOÝ3.2.1¨OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2011-05-18 EP 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 (1 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-20110124677-A1 AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRL1, OPRK1 MEN1 4151/4885GAA 4640/4885KMT2A 1245/4885

“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.