SCHEMBL6042765

SCHEMBL6042765

OC1CN(Cc2ccccc2)CCC1c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.53
SIGMAR1 Q99720 3/20 0.52
ALDH1A1 P00352 1/20 0.51
SLC18A3 Q16572 4/20 0.51
GRIN1 Q05586 1/20 0.50
GRIN2B Q13224 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
CHRM4 P08173 1/20 0.47

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
SCHEMBL12975924 0.83 FUCA1 (0.53) FUCA1SIGMAR1ALDH1A1SLC18A3GRIN1
Hydrochloric Acid SCHEMBL2883130 0.82 SIGMAR1 (0.54) FUCA1SIGMAR1ALDH1A1SLC18A3GRIN1
SCHEMBL6042493 0.81 SIGMAR1 (0.50) FUCA1SIGMAR1ALDH1A1SLC18A3GRIN1
SCHEMBL11558271 0.81 FUCA1 (0.60) FUCA1SIGMAR1ALDH1A1SLC18A3
SCHEMBL11558282 0.81 FUCA1 (0.60) FUCA1SIGMAR1ALDH1A1SLC18A3
SCHEMBL11558275 0.81 FUCA1 (0.60) FUCA1SIGMAR1ALDH1A1SLC18A3
SCHEMBL6041781 0.81 SLC18A3 (0.58) FUCA1SIGMAR1ALDH1A1SLC18A3
SCHEMBL7890766 0.80 SIGMAR1 (0.49) FUCA1SIGMAR1ALDH1A1SLC18A3GRIN1
SCHEMBL2980974 0.80 MEN1 (0.66) FUCA1SIGMAR1SLC18A3CHRM4
SCHEMBL27863424 0.80 SIGMAR1 (0.47) SIGMAR1KDM4EGAAL3MBTL1CHRM4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1256326-C Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 2006-05-17 CN disclosed
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
CN-1202152-A Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 1998-12-16 CN 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 605/4885SIGMAR1 3885/4885ALDH1A1 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.