SCHEMBL6041687

SCHEMBL6041687

Brc1cccc(C2=CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.54
DRD2 P14416 8/20 0.52
DRD3 P35462 8/20 0.52
HTR1A P08908 2/20 0.52
PARP1 P09874 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 2/20 0.49
HTR2A P28223 1/20 0.49
HDAC4 P56524 1/20 0.48
NAMPT P43490 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL2395932 0.87 DRD4 (0.67) DRD4DRD2DRD3HTR1APARP1
SCHEMBL2392338 0.86 DRD4 (0.56) DRD4DRD2DRD3HTR1APARP1
SCHEMBL6585625 0.84 DRD4 (0.63) DRD4DRD2DRD3HTR1APARP1
SCHEMBL29188191 0.84 DRD4 (0.67) DRD4DRD2DRD3HTR1APARP1
SCHEMBL6043125 0.84 MEN1 (0.58) DRD4DRD2DRD3HTR1APARP1
SCHEMBL302477 0.84 DRD4 (0.54) DRD4DRD2DRD3HTR1APARP1
SCHEMBL7975118 0.83 DRD4 (0.59) DRD4DRD2DRD3HTR1APARP1
SCHEMBL7369144 0.82 KDM4E (0.45) DRD4DRD2DRD3HTR1AMEN1
Hydrochloric Acid SCHEMBL8346217 0.82 DRD4 (0.58) DRD4DRD2DRD3HTR1APARP1
SCHEMBL4827185 0.81 MEN1 (0.71) DRD4DRD2DRD3HTR1APARP1

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 DRD4 2414/4885DRD2 2550/4885DRD3 1809/4885

“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.