SCHEMBL5651677

SCHEMBL5651677

COC(=O)[C@@H]1OC(=O)N[C@H]1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
BACE1 P56817 1/20 0.44
OPRL1 P41146 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
ITGA4 P13612 1/20 0.38

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
SCHEMBL13534726 1.00 CYP2D6 (0.47) CYP2D6BACE1OPRL1TDP1PSEN1
SCHEMBL6075390 1.00 CYP2D6 (0.47) CYP2D6BACE1OPRL1TDP1PSEN1
SCHEMBL10510512 1.00 CYP2D6 (0.47) CYP2D6BACE1OPRL1TDP1PSEN1
SCHEMBL10507152 0.88 PPARG (0.39) CYP2D6BACE1OPRL1MAPT
SCHEMBL13534746 0.88 ALDH1A1 (0.38) CYP2D6BACE1OPRL1ALDH1A1ALOX15
SCHEMBL13534719 0.87 OPRL1 (0.42) CYP2D6OPRL1
SCHEMBL13537106 0.86 CYP2D6 (0.37) CYP2D6BACE1OPRL1TDP1ALDH1A1
SCHEMBL13534736 0.86 SPR (0.39) CYP2D6OPRL1TDP1
SCHEMBL13534732 0.86 SMN1; SMN2 (0.40) CYP2D6OPRL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL13534728 0.85 KDM4E (0.38) CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307184-B2 Processes for preparing oxazolidinone derivatives of β-hydroxyethlamine compounds and for preparing β-hydroxyethlamine compounds KANEKA CORPORATION (JP) 2007-12-11 US disclosed
US-20060135784-A1 PROCESS FOR PRODUCING 3-AMINO-2-HYDROXYPROPIONIC ACID DERIVATIVES KANEKA CORPORATION 2006-06-22 US disclosed
US-7057066-B2 Process for producing 3-amino-2-hydroxypropionic acid derivatives KANEKA CORPORATION (JP) 2006-06-06 US disclosed
US-20040181074-A1 Process for producing oxazolidinone derivative of beta-hydroxyethylamine compound and for producing beta-hydroxyethlamine compound KANEKA CORPORATION (JP) 2004-09-16 US disclosed
EP-1403257-A1 PROCESSES FOR PRODUCING OXAZOLIDINONE DERIVATIVE OF BETA-HYDROXYETHYLAMINE COMPOUND AND FOR PRODUCING BETA-HYDROXYETHYLAMINE COMPOUND KANEKA CORPORATION (JP) 2004-03-31 EP disclosed
EP-1300391-A1 PROCESS FOR PRODUCING 3-AMINO-2-HYDROXYPROPIONIC ACID DERIVATIVES KANEKA CORPORATION (JP) 2003-04-09 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 (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-20060135784-A1 PROCESS FOR PRODUCING 3-AMINO-2-HYDROXYPROPIONIC ACID DERIVATIVES AASDHPPT, HPD, HAAO CYP2D6 409/4885BACE1 1315/4885OPRL1 1163/4885
US-20040181074-A1 Process for producing oxazolidinone derivative of beta-hydroxyethylamine compound and for producing beta-hydroxyethlamine compound HNMT, PNMT, HRH4 CYP2D6 267/4885BACE1 1128/4885OPRL1 317/4885

“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.