SCHEMBL6041311

SCHEMBL6041311

COc1cc(COC2CN(C(=O)O)CCC2c2ccc(S(C)(=O)=O)nc2)c(OC)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.46
SSTR5 P35346 5/20 0.39
APP P05067 1/20 0.34
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
GPR119 Q8TDV5 2/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
TRPC6 Q9Y210 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL6042376 0.91 REN (0.47) RENSSTR5APPNPC1RAB9A
SCHEMBL6042335 0.87 REN (0.47) RENSSTR5APPNPC1RAB9A
SCHEMBL7077413 0.85 REN (0.43) RENSSTR5GPR119
SCHEMBL6042470 0.85 REN (0.47) RENSSTR5APPKMT2AMEN1
SCHEMBL6042477 0.85 REN (0.47) RENSSTR5APPNPC1RAB9A
SCHEMBL6043793 0.83 REN (0.56) RENSSTR5NPC1RAB9AKMT2A
SCHEMBL6041644 0.83 REN (0.58) RENSSTR5NPC1RAB9APDE4B
SCHEMBL6041262 0.81 REN (0.49) RENSSTR5APPPDE4B
SCHEMBL6042125 0.81 REN (0.58) RENSSTR5PDE4B
SCHEMBL6043060 0.81 REN (0.49) RENSSTR5APP

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 2649/4885APP 5/4885

“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.