SCHEMBL6041846

SCHEMBL6041846

CC(C)(C)OC(=O)c1ccccc1-c1ccc(COC2CN(C(=O)O)CCC2c2ccc(F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
MLNR O43193 4/20 0.41
CYP3A4 P08684 3/20 0.41
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
ACHE P22303 1/20 0.37
TACR1 P25103 1/20 0.36
CHRNB2 P17787 3/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA4 P43681 3/20 0.36
PRMT5 O14744 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL6041914 0.89 MLNR (0.42) MLNRCYP3A4CCR3
SCHEMBL6959428 0.88 SLC6A4 (0.39) BACE1BACE2MLNRCYP3A4SLC6A4
SCHEMBL6953032 0.83 BACE1 (0.39) BACE1BACE2MLNRCYP3A4SLC6A4
SCHEMBL6042033 0.78 REN (0.45) MEN1KMT2A
SCHEMBL6041697 0.78 MEN1 (0.39) MEN1KMT2ACCR3TP53
SCHEMBL6042402 0.77 GPBAR1 (0.44) CCR3
SCHEMBL6043496 0.77 REN (0.50)
SCHEMBL6041755 0.77 KDM1A (0.38)
SCHEMBL6041827 0.75 F10 (0.45) MEN1KMT2A
SCHEMBL6041641 0.73 REN (0.46)

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 BACE1 1/4885BACE2 4/4885MLNR 3934/4885

“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.