SCHEMBL6042859

SCHEMBL6042859

OC1CNCCC1c1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
MTNR1A P48039 2/20 0.41
MTNR1B P49286 1/20 0.41
SLC6A4 P31645 4/20 0.41
HTR2A P28223 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
IDO1 P14902 1/20 0.38
SLC18A3 Q16572 1/20 0.38
CYP2D6 P10635 1/20 0.37
TLR9 Q9NR96 2/20 0.37
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
HTR6 P50406 1/20 0.36

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
SCHEMBL7884944 0.79 MEN1 (0.45) HTR2ASLC18A3
SCHEMBL6041812 0.78 ALDH1A1 (0.39) HTR2ASLC18A3TLR9TLR8TLR7
SCHEMBL2880905 0.78 HTR2C (0.54) KDM1ASLC6A4HTR2ASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL7884934 0.78 MEN1 (0.44) HTR2ASLC18A3
SCHEMBL2878748 0.78 SLC6A3 (0.41) SLC6A4HTR2ASLC6A2SLC6A3SLC18A3
SCHEMBL2878744 0.78 SLC6A3 (0.41) SLC6A4HTR2ASLC6A2SLC6A3SLC18A3
SCHEMBL2883172 0.78 HTR2C (0.54) KDM1ASLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL2882383 0.78 SLC6A3 (0.41) SLC6A4HTR2ASLC6A2SLC6A3SLC18A3
SCHEMBL2883946 0.78 HTR2C (0.54) KDM1ASLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL13228876 0.78 KDM1A (0.50) KDM1ASLC6A4SLC6A2SLC6A3SLC18A3

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 KDM1A 1891/4885MTNR1A 117/4885MTNR1B 130/4885

“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.