Sugi Predict

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SCHEMBL6042485

SCHEMBL6042485

Oc1ccc([C@@H]2[C@H](O)CN(Cc3ccccc3)C[C@@H]2O)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FUCA1 P04066 2/20 0.63
▸ GBA1 P04062 1/20 0.54
▸ GRIN2B Q13224 2/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ ESR2 Q92731 1/20 0.51
▸ DRD4 P21917 2/20 0.49
▸ ACHE P22303 3/20 0.47
▸ BACE1 P56817 3/20 0.47
▸ BCHE P06276 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ DRD3 P35462 1/20 0.45

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
SCHEMBL7447584 1.00 FUCA1 (0.63) FUCA1GBA1GRIN2BESR1ESR2
SCHEMBL6042482 1.00 FUCA1 (0.63) FUCA1GBA1GRIN2BESR1ESR2
SCHEMBL5329691 0.89 GBA1 (0.64) FUCA1GBA1GRIN2BESR1ESR2
SCHEMBL6953561 0.89 GBA1 (0.64) FUCA1GBA1GRIN2BESR1ESR2
Bromide SCHEMBL4532368 0.88 GBA1 (0.63) FUCA1GBA1GRIN2BESR1ESR2
Bromide SCHEMBL2683848 0.88 GBA1 (0.63) FUCA1GBA1GRIN2BESR1ESR2
Bromide SCHEMBL1943491 0.88 GBA1 (0.63) FUCA1GBA1GRIN2BESR1ESR2
SCHEMBL20017877 0.81 FUCA1 (0.85) FUCA1GBA1GRIN2BACHEALDH1A1
SCHEMBL562632 0.81 FUCA1 (0.85) FUCA1GBA1GRIN2BACHEALDH1A1
SCHEMBL84802 0.81 FUCA1 (0.85) FUCA1GBA1GRIN2BACHEALDH1A1

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 FUCA1 605/4885GBA1 158/4885GRIN2B 176/4885

“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.