SCHEMBL6042716

SCHEMBL6042716

O=C(O)c1ccc(C2CCN(Cc3ccccc3)CC2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.56
DRD2 P14416 2/20 0.54
MAOB P27338 1/20 0.54
HTR2A P28223 1/20 0.54
SLC6A4 P31645 1/20 0.54
SCN5A Q14524 1/20 0.54
HTT P42858 1/20 0.52
SLC18A3 Q16572 4/20 0.52
S1PR5 Q9H228 1/20 0.51
FUCA1 P04066 2/20 0.50
DRD4 P21917 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LTA4H P09960 1/20 0.48

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 0.87 FUCA1 (0.60) KDM1ADRD2MAOBHTTSLC18A3
SCHEMBL11558271 0.87 FUCA1 (0.60) KDM1ADRD2MAOBHTTSLC18A3
SCHEMBL11558275 0.87 FUCA1 (0.60) KDM1ADRD2MAOBHTTSLC18A3
SCHEMBL6042186 0.86 KDM1A (0.55) KDM1ADRD2HTTSLC18A3FUCA1
SCHEMBL6042249 0.85 ACHE (0.56) DRD2HTTSLC18A3FUCA1ALDH1A1
SCHEMBL6041900 0.84 ACHE (0.55) HTTSLC18A3FUCA1ALDH1A1
SCHEMBL6043310 0.84 FUCA1 (0.53) HTTSLC18A3FUCA1ALDH1A1
SCHEMBL6042732 0.84 RORC (0.58) HTTSLC18A3FUCA1ALDH1A1
SCHEMBL6041781 0.84 SLC18A3 (0.58) SLC18A3FUCA1ALDH1A1
SCHEMBL6043029 0.82 FUCA1 (0.50) HTTSLC18A3S1PR5FUCA1ALDH1A1

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 4 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
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

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 1891/4885DRD2 2550/4885MAOB 206/4885

“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.