SCHEMBL6041537

SCHEMBL6041537

O=C(O)N1CCC(c2ccc3c4c(cccc24)CC3)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
HTT P42858 1/20 0.41
S1PR5 Q9H228 1/20 0.39
REN P00797 6/20 0.39
SIGMAR1 Q99720 1/20 0.38
S1PR1 P21453 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
G6PD P11413 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL6042984 0.89 REN (0.42) RENMAPTLMNASLC6A2HTR2A
SCHEMBL7076830 0.82 KDM4E (0.37) KDM4EHTTS1PR5RENSIGMAR1
SCHEMBL6042481 0.82 REN (0.42) RENSIGMAR1SLC6A2HTR2AHTR2C
SCHEMBL6041307 0.82 REN (0.52) RENSLC6A2HTR2AHTR2CSLC6A4
SCHEMBL6043508 0.81 REN (0.51) REN
SCHEMBL6042663 0.81 REN (0.46) RENPREP
SCHEMBL6042381 0.79 REN (0.50) REN
SCHEMBL6042287 0.79 REN (0.52) REN
SCHEMBL8191081 0.79 REN (0.45) REN
SCHEMBL6044204 0.78 REN (0.55) 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 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 KDM4E 2501/4885HTT 155/4885S1PR5 1925/4885

“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.