SCHEMBL2724166

SCHEMBL2724166

COC(=O)CC(C)(C)c1ccc(OC)c(I)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TNF P01375 1/20 0.37

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
SCHEMBL1506516 0.81 CNR1 (0.41) MEN1HTTKMT2ACNR1CNR2
SCHEMBL28790443 0.79 BACE1 (0.42)
SCHEMBL4715047 0.79 LMNA (0.39) HTTKMT2ACNR1CNR2
SCHEMBL9816561 0.75 CNR1 (0.41) HTTKMT2ACNR1CNR2
SCHEMBL9816349 0.75 CNR1 (0.41) HTTKMT2ACNR1CNR2
SCHEMBL2723561 0.74 ALDH1A1 (0.54) MEN1HTTKMT2A
SCHEMBL2731805 0.74 HIF1A (0.36) MEN1HTTKMT2ACNR1CNR2
SCHEMBL1506544 0.73 ALDH1A1 (0.43) MEN1HTTKMT2A
SCHEMBL31377070 0.73 ALDH1A1 (0.43) MEN1HTTKMT2A
SCHEMBL21350346 0.73 ALDH1A1 (0.46) MEN1KMT2ATNF

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-2632269-B1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONES AS CETP INHIBITORS MERCK SHARP & DOHME (US) 2017-03-15 EP disclosed
CN-103269592-B Cyclic amine substituted oxazolidinone CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-11 CN disclosed
US-9221834-B2 Cyclic amine substituted oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2015-12-29 US disclosed
US-20130331372-A1 Cyclic Amine Substituted Oxazolidinone CETP Inhibitor MERCK SHARP & DOHME CORP. 2013-12-12 US disclosed
EP-2632269-A1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
CN-103269592-A Cyclic amine substituted oxazolidinone cetp inhibitor MERCK SHARP & DOHME 2013-08-28 CN disclosed
WO-2012058187-A1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME CORP. (US) 2012-05-03 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-20130331372-A1 Cyclic Amine Substituted Oxazolidinone CETP Inhibitor CETP, APOB, MTTP MEN1 3640/4885HTT 3600/4885KMT2A 2820/4885

“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.