SCHEMBL6652181

SCHEMBL6652181

COC(=O)CCC(=O)OC[C@H]1CN(C(=O)Oc2ccccc2)CC[C@@H]1c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
FAAH O00519 4/20 0.42
ALOX15 P16050 1/20 0.42
PDE4B Q07343 1/20 0.41
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6654193 1.00 GAA (0.42) GAAFAAHALOX15PDE4BKDM1A
SCHEMBL6656232 0.96 FAAH (0.41) GAAFAAHALOX15PDE4BKDM1A
SCHEMBL6660462 0.94 GAA (0.43) GAAFAAHALOX15PDE4BKDM1A
SCHEMBL6651888 0.93 ALOX15 (0.43) GAAFAAHALOX15PDE4BKDM1A
SCHEMBL6654149 0.93 ALOX15 (0.43) GAAFAAHALOX15PDE4BKDM1A
SCHEMBL6654153 0.92 GAA (0.42) GAAFAAHALOX15PDE4BKDM1A
SCHEMBL6652567 0.90 ALOX15 (0.44) GAAFAAHALOX15PDE4BKDM1A
SCHEMBL6652212 0.90 ALOX15 (0.44) GAAFAAHALOX15PDE4BKDM1A
SCHEMBL6651494 0.89 ALOX15 (0.42) GAAFAAHALOX15PDE4BKDM1A
SCHEMBL6656848 0.89 ALOX15 (0.42) GAAFAAHALOX15PDE4BKDM1A

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-20040167163-A1 Optically pure paroxetine precursors ASTUR-PHARMA, S.A. (ES) 2004-08-26 US disclosed
EP-1431287-A1 Optically pure paroxetine precursos Astur-Pharma, S.A. (ES) 2004-06-23 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-20040167163-A1 Optically pure paroxetine precursors CYP3A5, TPH2, MAOA GAA 299/4885FAAH 31/4885ALOX15 886/4885

“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.