SCHEMBL6042453

SCHEMBL6042453

C[Si](C)(C)CCOCOc1cccc2ccc(CO)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
PLAU P00749 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTR1B P28222 5/20 0.34
HTR1D P28221 2/20 0.34
KCNA3 P22001 1/20 0.34
MAPT P10636 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.33
GAA P10253 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH1 P35367 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
CBFB Q13951 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
SCHEMBL6042053 0.90 KDM4E (0.35) MTNR1AMTNR1BALDH1A1KDM4EHPGD
SCHEMBL6041789 0.88 KCNA3 (0.34) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL23580858 0.80 NPC1 (0.41) HPGDGAA
SCHEMBL6041731 0.79 MAPT (0.46) MTNR1AMTNR1BALDH1A1KDM4EHPGD
SCHEMBL6041625 0.79 PKM (0.35) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6043425 0.78 CYP11B1 (0.38) MTNR1AMTNR1BKDM4ECYSLTR1GPBAR1
SCHEMBL6041441 0.78 KCNA3 (0.34) ALDH1A1KDM4EHPGDHTR1BHTR1D
SCHEMBL7076825 0.77 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1KDM4EHPGD
SCHEMBL30279760 0.76 NPC1 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL28917715 0.76 NPC1 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT

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 MTNR1A 117/4885MTNR1B 130/4885ALDH1A1 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.