SCHEMBL6042760

SCHEMBL6042760

OC1CN(Cc2ccccc2)CCC1c1cccc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.57
SIGMAR1 Q99720 2/20 0.51
KMT2A Q03164 1/20 0.50
DRD2 P14416 1/20 0.49
FUCA1 P04066 2/20 0.49
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.48
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
MBTD1 Q05BQ5 1/20 0.46
L3MBTL3 Q96JM7 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
SCHEMBL11558282 0.86 FUCA1 (0.60) SLC18A3SIGMAR1DRD2FUCA1HTT
SCHEMBL11558275 0.86 FUCA1 (0.60) SLC18A3SIGMAR1DRD2FUCA1HTT
SCHEMBL11558271 0.86 FUCA1 (0.60) SLC18A3SIGMAR1DRD2FUCA1HTT
SCHEMBL6041336 0.86 DRD2 (0.67) SLC18A3SIGMAR1DRD2FUCA1HTT
SCHEMBL6042732 0.85 RORC (0.58) SLC18A3SIGMAR1KMT2AFUCA1HTT
SCHEMBL6041815 0.85 CCR5 (0.61) SLC18A3SIGMAR1KMT2ADRD2FUCA1
SCHEMBL6042186 0.82 KDM1A (0.55) SLC18A3SIGMAR1KMT2ADRD2FUCA1
SCHEMBL6042108 0.81 NPC1 (0.57) KMT2ADRD2
SCHEMBL6044182 0.81 SIGMAR1 (0.56) SLC18A3SIGMAR1KMT2ADRD2HTT
SCHEMBL6041654 0.81 KMT2A (0.51) SLC18A3SIGMAR1KMT2AFUCA1ALDH1A1

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 SLC18A3 400/4885SIGMAR1 3885/4885KMT2A 2702/4885

“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.