SCHEMBL6042430

SCHEMBL6042430

OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.66
ALDH1A1 P00352 1/20 0.56
FUCA1 P04066 2/20 0.54
SLC18A3 Q16572 1/20 0.52
ACHE P22303 2/20 0.50
BCHE P06276 1/20 0.50
BACE1 P56817 1/20 0.50
CYP2D6 P10635 2/20 0.49
PYGL P06737 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
CCR3 P51677 1/20 0.49

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
SCHEMBL1873794 1.00 GBA1 (0.66) GBA1ALDH1A1FUCA1SLC18A3ACHE
SCHEMBL21593411 1.00 GBA1 (0.66) GBA1ALDH1A1FUCA1SLC18A3ACHE
SCHEMBL21593408 1.00 GBA1 (0.66) GBA1ALDH1A1FUCA1SLC18A3ACHE
SCHEMBL21593480 1.00 GBA1 (0.66) GBA1ALDH1A1FUCA1SLC18A3ACHE
SCHEMBL7236741 0.88 CCR3 (0.57) GBA1ALDH1A1FUCA1SLC18A3ACHE
SCHEMBL1315584 0.88 GBA1 (0.66) GBA1ALDH1A1FUCA1SLC18A3ACHE
SCHEMBL1315585 0.88 GBA1 (0.66) GBA1ALDH1A1FUCA1SLC18A3ACHE
SCHEMBL458459 0.88 GBA1 (0.66) GBA1ALDH1A1FUCA1SLC18A3ACHE
SCHEMBL505547 0.88 GBA1 (0.66) GBA1ALDH1A1FUCA1SLC18A3ACHE
SCHEMBL29716681 0.88 GBA1 (0.66) GBA1ALDH1A1FUCA1SLC18A3ACHE

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 6 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
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 GBA1 158/4885ALDH1A1 2504/4885FUCA1 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.