SCHEMBL2836304

SCHEMBL2836304

NC[C@H]1OC(=O)N[C@@H]1c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
IDO1 P14902 4/20 0.34
TDO2 P48775 3/20 0.34
BPTF Q12830 1/20 0.33
CHRNB2 P17787 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
DAO P14920 1/20 0.33
PGR P06401 1/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7840974 0.85 GRM5 (0.43) GRM5HTR2AHTR2CHTR2BIDO1
SCHEMBL6963296 0.85 GRM5 (0.43) GRM5HTR2AHTR2CHTR2BIDO1
SCHEMBL8165987 0.82 GRM5 (0.41) GRM5IDO1TDO2CHRNB2ADRA2C
SCHEMBL7972568 0.82 GRM5 (0.41) GRM5IDO1TDO2CHRNB2ADRA2C
SCHEMBL5662057 0.77 GRM5 (0.45) GRM5IDO1TDO2CHRNB2ADRA2C
SCHEMBL7658515 0.77 GRM5 (0.45) GRM5IDO1TDO2CHRNB2ADRA2C
SCHEMBL14587413 0.77 GRM5 (0.45) GRM5IDO1TDO2CHRNB2ADRA2C
SCHEMBL7655571 0.77 GRM5 (0.45) GRM5IDO1TDO2CHRNB2ADRA2C
SCHEMBL14587411 0.77 GRM5 (0.45) GRM5IDO1TDO2CHRNB2ADRA2C
SCHEMBL8181644 0.77 GRM5 (0.40) GRM5HTR2BCHRNB2ADRA2CCHRNB4

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-2166847-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-8293721-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARPE & DOHME CORP. (US) 2012-10-23 US disclosed
US-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME LLC 2010-07-22 US disclosed
EP-2166847-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156718-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 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-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP GRM5 4639/4885HTR2A 3209/4885HTR2C 3219/4885

“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.