SCHEMBL6042494

SCHEMBL6042494

O=C(O)N1C[C@@H](COCCN2CCOCC2)C(c2ccc(OCCCOCc3ccccc3)cc2)[C@@H](COCCN2CCOCC2)C1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.60
EPHX2 P34913 2/20 0.48
LTA4H P09960 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
EGFR P00533 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MCHR1 Q99705 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TEAD3 Q99594 1/20 0.43

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
SCHEMBL6042520 1.00 REN (0.60) RENEPHX2LTA4HBCHEACHE
SCHEMBL6043059 0.97 REN (0.57) RENEPHX2LTA4HBCHEACHE
SCHEMBL6041928 0.94 REN (0.56) RENEPHX2LTA4HBCHEACHE
SCHEMBL6042031 0.88 REN (0.76) RENBCHEACHE
SCHEMBL6043948 0.87 REN (0.63) RENEPHX2LTA4HBCHEACHE
SCHEMBL7081656 0.86 REN (0.77) RENEPHX2LTA4HNPC1RAB9A
SCHEMBL7081660 0.86 REN (0.77) RENEPHX2LTA4HNPC1RAB9A
SCHEMBL7078293 0.85 REN (0.54) RENEPHX2LTA4HBCHEACHE
SCHEMBL7078307 0.82 REN (0.52) RENEPHX2LTA4HBCHEACHE
SCHEMBL6042268 0.82 REN (0.45) RENKDM4EALDH1A1LMNANPC1

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 REN 1485/4885EPHX2 1776/4885LTA4H 1225/4885

“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.