SCHEMBL6041336

SCHEMBL6041336

Oc1cccc(C2CCN(Cc3ccccc3)CC2O)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.67
OPRM1 P35372 1/20 0.51
FUCA1 P04066 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
HTT P42858 1/20 0.49
SLC18A3 Q16572 2/20 0.49
DRD3 P35462 1/20 0.49
ALDH1A1 P00352 1/20 0.49
BCHE P06276 3/20 0.48
ACHE P22303 3/20 0.48
BACE1 P56817 3/20 0.48

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
SCHEMBL11558282 0.87 FUCA1 (0.60) DRD2FUCA1SIGMAR1HTTSLC18A3
SCHEMBL11558275 0.87 FUCA1 (0.60) DRD2FUCA1SIGMAR1HTTSLC18A3
SCHEMBL11558271 0.87 FUCA1 (0.60) DRD2FUCA1SIGMAR1HTTSLC18A3
SCHEMBL6042760 0.86 SLC18A3 (0.57) DRD2FUCA1SIGMAR1HTTSLC18A3
SCHEMBL6041815 0.86 CCR5 (0.61) DRD2FUCA1SIGMAR1HTTSLC18A3
SCHEMBL6042108 0.85 NPC1 (0.57) DRD2
SCHEMBL6042249 0.85 ACHE (0.56) DRD2FUCA1HTTSLC18A3ALDH1A1
SCHEMBL6042186 0.84 KDM1A (0.55) DRD2FUCA1SIGMAR1HTTSLC18A3
SCHEMBL6044182 0.83 SIGMAR1 (0.56) DRD2SIGMAR1HTTSLC18A3ALDH1A1
SCHEMBL28215287 0.82 DRD2 (0.58) DRD2OPRM1SIGMAR1DRD3BCHE

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 8 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
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 DRD2 2550/4885OPRM1 1712/4885FUCA1 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.