SCHEMBL3565453

SCHEMBL3565453

O=CC1CCC(CC(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.46
ENPEP Q07075 1/20 0.46
SLC6A12 P48065 5/20 0.43
SLC6A11 P48066 5/20 0.43
SLC6A13 Q9NSD5 5/20 0.43
SLC6A1 P30531 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA1 P14867 1/20 0.43
GABRR1 P24046 1/20 0.43
GABRA4 P48169 1/20 0.43
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL3565451 1.00 ANPEP (0.46) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL74792 0.84
SCHEMBL431287 0.84 ANPEP (0.56) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL28300354 0.84 ANPEP (0.56) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL24197646 0.84 ANPEP (0.56) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL24483431 0.84 ANPEP (0.56) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL1493230 0.84 ANPEP (0.56) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL12227361 0.82 ANPEP (0.43) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL15771317 0.82
SCHEMBL27357062 0.82

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973889-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-08-24 EP disclosed
US-7781426-B2 cholesterol ester transfer protein (CETP) inhibitors such as (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)benzyl]-4-methyl-1,3-oxazolidin-2-one, useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
US-20090075979-A1 CETP Inhibitors MERCK SHARP & DOHME LLC 2009-03-19 US disclosed
EP-1973889-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-10-01 EP disclosed
WO-2007081571-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 WO 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-20090075979-A1 CETP Inhibitors CETP, APOB, MTTP ANPEP 476/4885ENPEP 467/4885SLC6A12 4173/4885

“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.