SCHEMBL6041815

SCHEMBL6041815

OC1CN(Cc2ccccc2)CCC1c1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.61
FUCA1 P04066 2/20 0.52
SLC18A3 Q16572 5/20 0.52
SIGMAR1 Q99720 4/20 0.52
DRD2 P14416 2/20 0.49
CHRM4 P08173 1/20 0.49
DRD4 P21917 1/20 0.49
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 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
SCHEMBL11558271 0.86 FUCA1 (0.60) CCR5FUCA1SLC18A3SIGMAR1DRD2
SCHEMBL11558275 0.86 FUCA1 (0.60) CCR5FUCA1SLC18A3SIGMAR1DRD2
SCHEMBL11558282 0.86 FUCA1 (0.60) CCR5FUCA1SLC18A3SIGMAR1DRD2
SCHEMBL6041336 0.86 DRD2 (0.67) FUCA1SLC18A3SIGMAR1DRD2ALDH1A1
SCHEMBL6041781 0.85 SLC18A3 (0.58) FUCA1SLC18A3SIGMAR1ALDH1A1
SCHEMBL6042760 0.85 SLC18A3 (0.57) FUCA1SLC18A3SIGMAR1DRD2ALDH1A1
SCHEMBL16877167 0.84 CCR5 (0.67) CCR5SLC18A3SIGMAR1DRD2CHRM4
SCHEMBL6042186 0.82 KDM1A (0.55) FUCA1SLC18A3SIGMAR1DRD2DRD4
SCHEMBL6042108 0.81 NPC1 (0.57) DRD2KMT2A
SCHEMBL6044182 0.81 SIGMAR1 (0.56) SLC18A3SIGMAR1DRD2CHRM4ALDH1A1

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 CCR5 2844/4885FUCA1 605/4885SLC18A3 400/4885

“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.