SCHEMBL6041262

SCHEMBL6041262

COc1cc(COC2CN(C(=O)O)CCC2c2ccc(OCC#CCOc3ccccc3)cc2)c(OC)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.49
SSTR5 P35346 3/20 0.40
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TACR1 P25103 4/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PDE4B Q07343 1/20 0.33
APP P05067 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6041644 0.92 REN (0.58) RENSSTR5PDE4B
SCHEMBL6043793 0.92 REN (0.56) RENSSTR5PDE4B
SCHEMBL6043171 0.88 REN (0.55) RENSSTR5ALDH1A1KDM4EPDE4B
SCHEMBL6042470 0.88 REN (0.47) RENSSTR5ALDH1A1L3MBTL1PDE4B
SCHEMBL6042125 0.88 REN (0.58) RENSSTR5ALDH1A1L3MBTL1PDE4B
SCHEMBL6043060 0.88 REN (0.49) RENSSTR5ALDH1A1TACR1APP
SCHEMBL6041828 0.87 REN (0.48) REN
SCHEMBL6042187 0.87 REN (0.53) RENSSTR5
SCHEMBL6042820 0.87 REN (0.59) REN
SCHEMBL6041248 0.86 REN (0.52) RENSSTR5TACR1PDE4B

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 1485/4885SSTR5 2649/4885ALDH1A1 2504/4885

“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.