SCHEMBL6041679

SCHEMBL6041679

O=C(O)N1CC(O)C(c2ccc(OCCCOCc3ccccc3)cc2)C(CO)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.47
UGCG Q16739 5/20 0.42
GBA2 Q9HCG7 5/20 0.42
GBA1 P04062 4/20 0.42
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KCNH2 Q12809 1/20 0.39
KMT2A Q03164 1/20 0.39
S1PR1 P21453 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LCT P09848 2/20 0.38
SI P14410 2/20 0.38
MGAM O43451 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6044040 0.94 REN (0.45) RENUGCGGBA2GBA1KDM4E
SCHEMBL6044047 0.94 REN (0.45) RENUGCGGBA2GBA1KDM4E
SCHEMBL7591191 0.94 REN (0.45) RENUGCGGBA2GBA1KDM4E
SCHEMBL6043145 0.92 REN (0.51) RENUGCGGBA2GBA1KDM4E
SCHEMBL6043150 0.92 REN (0.51) RENUGCGGBA2GBA1KDM4E
SCHEMBL6043626 0.87 REN (0.43) RENUGCGGBA2GBA1KDM4E
SCHEMBL6956465 0.86 REN (0.45) RENUGCGGBA2GBA1KDM4E
SCHEMBL1943957 0.86 REN (0.46) REN
SCHEMBL6042268 0.85 REN (0.45) RENKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL6041634 0.83 REN (0.56) REN

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 5 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

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 1485/4885UGCG 1760/4885GBA2 324/4885

“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.