SCHEMBL3370568

SCHEMBL3370568

COC(=O)C(C)(C)Oc1cc(C(F)(F)F)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.46
SORT1 Q99523 2/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADRB2 P07550 1/20 0.43
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 1/20 0.42
CNR1 P21554 2/20 0.41
P2RX3 P56373 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
KDR P35968 1/20 0.39
CLK2 P49760 1/20 0.39
IRAK1 P51617 1/20 0.39
NEK4 P51957 1/20 0.39
MAP4K2 Q12851 1/20 0.39
HIPK4 Q8NE63 1/20 0.39
SRPK1 Q96SB4 1/20 0.39
CLK4 Q9HAZ1 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
SCHEMBL3370613 0.85 PPARA (0.48) DGAT2SORT1ALDH1A1GAAL3MBTL1
SCHEMBL116911 0.79 SMN1; SMN2 (0.40) ALDH1A1L3MBTL1CNR1ARLMNA
SCHEMBL13020077 0.78 NOS3 (0.48) DGAT2SORT1ALDH1A1GAAL3MBTL1
SCHEMBL24094533 0.77 SORT1 (0.45) DGAT2SORT1ALDH1A1GAAL3MBTL1
SCHEMBL31421696 0.77 SORT1 (0.45) DGAT2SORT1ALDH1A1GAAL3MBTL1
SCHEMBL30602680 0.75 ALDH1A1 (0.47) SORT1ALDH1A1GAAL3MBTL1ADRB2
SCHEMBL20832701 0.75 ALDH1A1 (0.47) SORT1ALDH1A1GAAL3MBTL1ADRB2
SCHEMBL23309316 0.75 CYP4F2 (0.43) PPARA
SCHEMBL31121348 0.74 NOS3 (0.52) SORT1ALDH1A1GAAL3MBTL1ADRB2
SCHEMBL677234 0.74 NOS3 (0.52) SORT1ALDH1A1GAAL3MBTL1ADRB2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575901-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
EP-1496838-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2010-11-03 EP disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-7576239-B2 Substituted amides MERCK & CO., INC. (US) 2009-08-18 US disclosed
US-7550489-B2 Substituted pyridyoxy amides MERCK & CO., INC. (US) 2009-06-23 US disclosed
US-20090137529-A1 SUBSTITUTED ESTERS AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-05-28 US disclosed
EP-1575901-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2009-03-18 EP disclosed
EP-2019593-A1 PRO-DRUGS OF TERTIARY ALCOHOLS Merck & Co., Inc. (US) 2009-02-04 EP disclosed
US-20080194645-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-08-14 US disclosed
US-7348456-B2 Substituted amides MERCK & CO., INC. (US) 2008-03-25 US disclosed
WO-2007136571-A1 PRO-DRUGS OF TERTIARY ALCOHOLS MERCK & CO., INC. (US) 2007-11-29 WO disclosed
US-20060106071-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-05-18 US disclosed
US-6972295-B2 Substituted amides MERCK & CO., INC. (US) 2005-12-06 US disclosed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 US disclosed
EP-1575901-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (a New Jersey corp.) (US) 2005-09-21 EP disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2004058145-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2004-07-15 WO disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 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 (6 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-20060106071-A1 Substituted amides CNR1, CNR2, FAAH DGAT2 639/4885SORT1 3485/4885ALDH1A1 2986/4885
US-20080194645-A1 Substituted amides CNR1, CNR2, FAAH DGAT2 639/4885SORT1 3485/4885ALDH1A1 2986/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG DGAT2 1287/4885SORT1 3240/4885ALDH1A1 3568/4885
US-20090137529-A1 SUBSTITUTED ESTERS AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, CHRNA10 DGAT2 1360/4885SORT1 2352/4885ALDH1A1 2210/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH DGAT2 639/4885SORT1 3485/4885ALDH1A1 2986/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH DGAT2 639/4885SORT1 3485/4885ALDH1A1 2986/4885

“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.