SCHEMBL6044052

SCHEMBL6044052

O=C(O)N1CC(O)C(c2ccc(Br)cc2)C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC4 P56524 1/20 0.37
RORC P51449 4/20 0.34
SLC6A1 P30531 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR183 P32249 1/20 0.34
TYMP P19971 3/20 0.33
SLC6A11 P48066 1/20 0.32
POLB P06746 2/20 0.32
FABP7 O15540 1/20 0.32
FABP5 Q01469 1/20 0.32

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
SCHEMBL3904345 0.88 SLC6A11 (0.44) ALDH1A1CYP1A2CYP3A4SLC6A1TYMP
SCHEMBL6042731 0.85 GRIN2B (0.37) MAPTALDH1A1CYP3A4L3MBTL1SLC6A1
SCHEMBL6956483 0.85 MAPT (0.35) MAPTGAAALDH1A1CYP1A2CYP3A4
SCHEMBL6043626 0.81 REN (0.43) ALDH1A1
SCHEMBL6949154 0.80 RORC (0.38) MAPTGAAALDH1A1CYP1A2CYP3A4
SCHEMBL6041287 0.79 REN (0.43) MAPT
SCHEMBL4583013 0.79 SLC6A1 (0.32) SLC6A1SLC6A11
SCHEMBL6043970 0.79 HDAC4 (0.39) MAPTGAAALDH1A1CYP1A2CYP3A4
SCHEMBL1037119 0.76 MMP9 (0.43) HTTRORCSLC6A1SLC6A11FABP7
SCHEMBL8186963 0.75 HDAC4 (0.39) MAPTGAAALDH1A1CYP1A2CYP3A4

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 MAPT 43/4885GAA 37/4885ALDH1A1 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.