SCHEMBL3574409

SCHEMBL3574409

CCNC[C@H]1CC[C@H](C(=O)OCC)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 2/20 0.46
ALDH1A1 P00352 5/20 0.44
SAT1 P21673 1/20 0.43
GAA P10253 1/20 0.41
TSHR P16473 2/20 0.40
PPM1B O75688 1/20 0.40
PTPN1 P18031 1/20 0.40
PPP1CC P36873 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3574412 1.00 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1SAT1
SCHEMBL3577321 0.85 SAT1 (0.46) MEN1KMT2AALDH1A1SAT1GAA
SCHEMBL3577318 0.85 SAT1 (0.46) MEN1KMT2AALDH1A1SAT1GAA
SCHEMBL8612695 0.85 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL17048918 0.83 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL4293151 0.83 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL4221 0.82
SCHEMBL2375356 0.82 MAPT (0.60) MEN1KMT2AMAPTALDH1A1PPM1B
SCHEMBL8891623 0.82 MAPT (0.60) MEN1KMT2AMAPTALDH1A1PPM1B
SCHEMBL237380 0.82 MAPT (0.60) MEN1KMT2AMAPTALDH1A1PPM1B

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 MEN1 3533/4885KMT2A 1880/4885MAPT 2954/4885

“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.