SCHEMBL6042542

SCHEMBL6042542

COC(=O)c1cccc(C2CCN(C(=O)O)CC2O)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
RBP4 P02753 1/20 0.42
GAA P10253 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
EPHX2 P34913 1/20 0.40
CYP3A4 P08684 1/20 0.39
RHOA P61586 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3071788 0.85 HPGD (0.44) HTTKMT2AALDH1A1KDM4EGAA
SCHEMBL22551222 0.85 HPGD (0.44) HTTKMT2AALDH1A1KDM4EGAA
SCHEMBL20658828 0.84 RBP4 (0.49) HTTKMT2AALDH1A1KDM4ERBP4
SCHEMBL6952756 0.84 HTT (0.42) HTTKMT2AALDH1A1KDM4ERBP4
SCHEMBL27502910 0.82 HTT (0.53) HTTKMT2AALDH1A1MEN1
SCHEMBL17595671 0.81 RBP4 (0.51) KMT2AALDH1A1KDM4ERBP4EPHX2
SCHEMBL16992384 0.79 PDE4B (0.42) KMT2AMEN1
SCHEMBL2241229 0.79 SLC18A3 (0.55) HTTALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL2241225 0.79 SLC18A3 (0.55) HTTALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL6042250 0.79 SLC18A3 (0.55) HTTALDH1A1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 HTT 155/4885KMT2A 2702/4885ALDH1A1 2504/4885

“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.