SCHEMBL6706558

SCHEMBL6706558

CC(C)(CN[C@@H](COCc1ccccc1)C(=O)O)OC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.55
PPARG P37231 1/20 0.50
FOLH1 Q04609 1/20 0.47
CTSS P25774 1/20 0.47
MME P08473 1/20 0.45
SLC1A1 P43005 1/20 0.43
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
KLK7 P49862 2/20 0.40
KLK5 Q9Y337 2/20 0.40
CA1 P00915 1/20 0.39
GHSR Q92847 2/20 0.38
CACNA1F O60840 2/20 0.38
TACR1 P25103 2/20 0.38
CACNA1D Q01668 2/20 0.38
CACNA1S Q13698 2/20 0.38
CACNA1C Q13936 2/20 0.38
RAB9A P51151 1/20 0.37
ACE P12821 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
SCHEMBL6708045 0.85 ACE (0.46) CTSSMMEACE
SCHEMBL6706849 0.85 ACE (0.46) CTSSMMEACE
SCHEMBL5230870 0.84 PPARA (0.56) PPARAPPARGFOLH1CTSSMME
SCHEMBL7592364 0.83 PPARA (0.50) PPARAPPARGFOLH1CTSSMME
SCHEMBL7588488 0.80 FOLH1 (0.59) PPARAPPARGFOLH1CTSSMME
SCHEMBL27586123 0.80 PPARA (0.66) PPARAPPARGFOLH1CTSSMME
SCHEMBL31163762 0.80 PPARA (0.66) PPARAPPARGFOLH1CTSSMME
SCHEMBL9450975 0.78 FOLH1 (0.54) PPARAPPARGFOLH1CTSSMME
SCHEMBL5347315 0.78 FOLH1 (0.54) PPARAPPARGFOLH1CTSSMME
SCHEMBL4863387 0.78 PPARA (0.63) PPARAPPARGFOLH1CTSSMME

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-6831084-B1 Agonism and antagonism; neuroprotection; strokes including thromboembolic and focal, global or tranient ischemic attack WYETH 2004-12-14 US disclosed
US-6828324-B2 Provide neuroprotection and prevent, inhibit or limit processes of neurodegeneration in mammals WYETH 2004-12-07 US disclosed
US-20040162430-A1 Branched adamantyl and noradamantyl aryl-and aralkylpiperazines with serotonin 5-HT 1A activity WYETH (US) 2004-08-19 US disclosed
EP-1276731-A2 BRANCHED ADAMANTYL AND NORADAMANTYL ARYL- AND ARALKYLPIPERAZINES WITH SEROTONIN 5-HT 1A ACTIVITY Wyeth (US) 2003-01-22 EP disclosed
WO-2001034586-A2 BRANCHED ADAMANTYL AND NORADAMANTYL ARYL- AND ARALKYLPIPERAZINES WITH SEROTONIN 5-HT1A ACTIVITY WYETH (US) 2001-05-17 WO 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-20040162430-A1 Branched adamantyl and noradamantyl aryl-and aralkylpiperazines with serotonin 5-HT 1A activity HTR1A, HTR5A, PARL PPARA 2813/4885PPARG 3082/4885FOLH1 4045/4885

“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.