SCHEMBL6044040

SCHEMBL6044040

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.45
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
KCNH2 Q12809 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
S1PR1 P21453 1/20 0.41
GBA1 P04062 2/20 0.40
UGCG Q16739 2/20 0.40
GBA2 Q9HCG7 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TEAD3 Q99594 1/20 0.39

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
SCHEMBL6044047 1.00 REN (0.45) RENKDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL7591191 1.00 REN (0.45) RENKDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL6041679 0.94 REN (0.47) RENKDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL6042268 0.91 REN (0.45) RENKDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL6042353 0.89 S1PR5 (0.49) SMN1; SMN2LMNAKCNH2NPC1RAB9A
SCHEMBL6042358 0.89 S1PR5 (0.49) SMN1; SMN2LMNAKCNH2NPC1RAB9A
SCHEMBL6042046 0.88 REN (0.45) RENKDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL6042041 0.88 REN (0.45) RENKDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL6043059 0.87 REN (0.57) RENKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL6043150 0.87 REN (0.51) RENKDM4ESMN1; SMN2KMT2AALDH1A1

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 1485/4885KDM4E 2501/4885SMN1; SMN2 1096/4885

“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.