SCHEMBL6042587

SCHEMBL6042587

OC1CNCCC1c1ccc2c(c1)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.41
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
HTR3A P46098 1/20 0.36
ALK Q9UM73 1/20 0.34
REN P00797 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL4890839 0.82 HTR3A (0.36) HTR3AREN
SCHEMBL4890857 0.82 HTR3A (0.36) HTR3AREN
SCHEMBL4890845 0.82 HTR3A (0.36) HTR3AREN
SCHEMBL1363874 0.79 HTR3A (0.53) HTR3ADRD2DRD3
SCHEMBL7560604 0.74 SLC6A2 (0.52) TLR9TLR8TLR7REN
SCHEMBL5584964 0.74 QDPR (0.53) TLR9TLR8TLR7HTR3ADRD3
SCHEMBL8193235 0.74 ESR2 (0.41) TLR9TLR8TLR7HTR3A
SCHEMBL19097411 0.74 ESR2 (0.41) TLR9TLR8TLR7HTR3A
SCHEMBL6042043 0.74 ESR2 (0.41) TLR9TLR8TLR7HTR3A
SCHEMBL6041437 0.73 REN (0.39) TLR9TLR8TLR7HTR3AREN

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 6 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
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 TLR9 4793/4885TLR8 4882/4885TLR7 4785/4885

“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.