SCHEMBL14889656

SCHEMBL14889656

COC(=O)c1cc(C)c(-c2ccc(OC)cc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
OPRD1 P41143 1/20 0.48
DYRK1A Q13627 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
ALPL P05186 1/20 0.45
MAPT P10636 1/20 0.45
DGAT1 O75907 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLQ O75417 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
BACE1 P56817 2/20 0.43
MAP4K4 O95819 1/20 0.43

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
SCHEMBL14901971 0.88 MAPK1 (0.45) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2725133 0.81 POLQ (0.50) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14901970 0.81 MAPK1 (0.41) KDM4ECYP1A2CYP2C19DYRK1ALMNA
SCHEMBL14889881 0.80 MAPK1 (0.42) KDM4ECYP1A2CYP2C19DYRK1ALMNA
SCHEMBL15256554 0.77 DYRK1A (0.54) DYRK1ANPC1RAB9AMAPTPOLQ
SCHEMBL18825226 0.76 MAPK1 (0.53) KDM4ECYP1A2CYP2C19LMNAMAPT
SCHEMBL13188759 0.76 DYRK1A (0.58) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5183305 0.75 DGAT1 (0.49) DYRK1AMAPTDGAT1MAPK1
SCHEMBL1528983 0.75 CA1 (0.61) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL24994318 0.75 RXFP1 (0.54) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771345-B1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME (US) 2016-09-21 EP disclosed
EP-2771345-B1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME (US) 2016-09-21 EP disclosed
US-9346825-B2 Fused bicyclic oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2016-05-24 US disclosed
US-9346825-B2 Fused bicyclic oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2016-05-24 US disclosed
US-20140378493-A1 Fused Bicyclic Oxazolidinone CETP Inhibitor MERCK SHARP & DOHME LLC 2014-12-25 US disclosed
US-20140378493-A1 Fused Bicyclic Oxazolidinone CETP Inhibitor MERCK SHARP & DOHME LLC 2014-12-25 US disclosed
US-8871738-B2 Fused bicyclic oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8871738-B2 Fused bicyclic oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
EP-2771345-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR Merck Sharp & Dohme Corp. (US) 2014-09-03 EP disclosed
US-20130109649-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME LLC 2013-05-02 US disclosed
US-20130109649-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME LLC 2013-05-02 US disclosed
WO-2013063217-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME CORP. (US) 2013-05-02 WO disclosed
WO-2013063217-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME CORP. (US) 2013-05-02 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 (2 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-20140378493-A1 Fused Bicyclic Oxazolidinone CETP Inhibitor CETP, MTTP, APOB KDM4E 2743/4885CYP1A2 1621/4885CYP2D6 1905/4885
US-20130109649-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR CETP, MTTP, APOB KDM4E 2743/4885CYP1A2 1621/4885CYP2D6 1905/4885

“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.