SCHEMBL6042864

SCHEMBL6042864

COc1ccccc1COc1cc(COC2CN(C(=O)O)CCC2c2ccc(F)cc2)cc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
NPC1 O15118 2/20 0.36
APP P05067 2/20 0.36
TRPC6 Q9Y210 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGER1 P34995 1/20 0.35
RAB9A P51151 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
SCHEMBL6042512 0.93 REN (0.42) RENAPPMEN1KMT2A
SCHEMBL6044005 0.91 KDM2B (0.40) RENNPC1MEN1KMT2APTGER1
SCHEMBL6042027 0.90 REN (0.50) REN
SCHEMBL6043273 0.89 REN (0.42) RENNPC1RAB9A
SCHEMBL6042134 0.89 REN (0.39) RENPTGER1
SCHEMBL6042767 0.88 REN (0.42) RENPTGER1
SCHEMBL6041832 0.88 REN (0.39) RENPTGDR2NPC1PTGER1RAB9A
SCHEMBL6043715 0.87 REN (0.38) RENNPC1PTGER1RAB9A
SCHEMBL6042154 0.87 REN (0.39) RENPTGER1RAB9A
SCHEMBL6042212 0.87 MGLL (0.39) RENNPC1PTGER1RAB9A

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 1485/4885PTGDR2 1634/4885PLA2G1B 855/4885

“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.