SCHEMBL3578679

SCHEMBL3578679

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TRPA1 O75762 1/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NAAA Q02083 1/20 0.40
EPHX1 P07099 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL3578682 1.00 GAA (0.47) GAAKMT2ATP53CHRNB2CHRNA4
SCHEMBL1678458 0.87
Hydrochloric Acid SCHEMBL28988641 0.85
SCHEMBL4223205 0.82 OPRM1 (0.48) KMT2AMTNR1AMTNR1BSMN1; SMN2GNAI3
SCHEMBL4223207 0.82 OPRM1 (0.48) KMT2AMTNR1AMTNR1BSMN1; SMN2GNAI3
SCHEMBL15200265 0.82 OPRM1 (0.48) KMT2ASMN1; SMN2TRPA1GNAI3GNAO1
SCHEMBL15580639 0.82 OPRM1 (0.48) KMT2ASMN1; SMN2TRPA1GNAI3GNAO1
SCHEMBL687030 0.82 OPRM1 (0.48) KMT2ASMN1; SMN2TRPA1GNAI3GNAO1
SCHEMBL2582971 0.81 KMT2A (0.53) GAAKMT2ATP53CHRNB2CHRNA4
SCHEMBL2576767 0.81 KMT2A (0.44) GAAKMT2ATP53CHRNB2CHRNA4

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 7 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
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-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
US-20090075979-A1 CETP Inhibitors MERCK SHARP & DOHME LLC 2009-03-19 US 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 GAA 2519/4885KMT2A 1880/4885TP53 4290/4885

“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.