SCHEMBL6044553

SCHEMBL6044553

C1=C(c2cccc(OCc3ccccc3)c2)CCN(Cc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
DRD4 P21917 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DRD2 P14416 5/20 0.49
HTR1A P08908 5/20 0.49
HTR2A P28223 2/20 0.49
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
DRD3 P35462 2/20 0.48
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PARP1 P09874 1/20 0.46
SPHK2 Q9NRA0 2/20 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
SCHEMBL8214501 0.87 NPC1 (0.56) MEN1KMT2ADRD4DRD2HTR1A
SCHEMBL4827185 0.86 MEN1 (0.71) MEN1KMT2ADRD4DRD2HTR1A
Hydrochloric Acid SCHEMBL6288085 0.85 MEN1 (0.69) MEN1KMT2ADRD4DRD2HTR1A
SCHEMBL2395932 0.83 DRD4 (0.67) DRD4DRD2HTR1AHTR2ADRD3
SCHEMBL29505209 0.80 EGLN1 (0.49) DRD4DRD2HTR1ADRD3KDM4E
SCHEMBL6585625 0.80 DRD4 (0.63) MEN1KMT2ADRD4DRD2HTR1A
SCHEMBL29188191 0.80 DRD4 (0.67) DRD4DRD2HTR1AHTR2ADRD3
SCHEMBL302477 0.80 DRD4 (0.54) MEN1KMT2ADRD4DRD2HTR1A
SCHEMBL6043125 0.80 MEN1 (0.58) MEN1KMT2ADRD4DRD2HTR1A
SCHEMBL6041687 0.80 DRD4 (0.54) MEN1KMT2ADRD4DRD2HTR1A

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 MEN1 2561/4885KMT2A 2702/4885DRD4 2414/4885

“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.