SCHEMBL6041817

SCHEMBL6041817

Oc1ccc([C@@H]2[C@H](O)CNC[C@@H]2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.42
MAN1B1 Q9UKM7 1/20 0.42
FUCA1 P04066 2/20 0.39
GBA1 P04062 2/20 0.39
GLA P06280 2/20 0.39
GAA P10253 1/20 0.39
GLB1 P16278 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
KDM1A O60341 1/20 0.35
ESR1 P03372 1/20 0.35
MGAM O43451 1/20 0.35

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
SCHEMBL6041814 1.00 ESR2 (0.42) ESR2MAN1B1FUCA1GBA1GLA
SCHEMBL6958961 0.84 GBA1 (0.47) ESR2GBA1GAAGLB1ESR1
SCHEMBL2684014 0.84 GBA1 (0.47) ESR2GBA1GAAGLB1ESR1
Bromide SCHEMBL5282167 0.82 GBA1 (0.46) ESR2GBA1GAAGLB1ESR1
Bromide SCHEMBL1941630 0.82 GBA1 (0.46) ESR2GBA1GAAGLB1ESR1
SCHEMBL6626149 0.79 REN (0.42) ESR2GBA1ESR1
SCHEMBL2339221 0.75 REN (0.34)
SCHEMBL2683172 0.75 REN (0.34)
SCHEMBL5280625 0.75 REN (0.34)
SCHEMBL23119873 0.75 ESR2 (0.52) ESR2CHRNB2CHRNA4ESR1

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 ESR2 696/4885MAN1B1 823/4885FUCA1 605/4885

“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.