SCHEMBL3370613

SCHEMBL3370613

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.48
PPARD Q03181 8/20 0.48
PPARG P37231 5/20 0.48
DGAT2 Q96PD7 1/20 0.43
SORT1 Q99523 1/20 0.43
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
CNR1 P21554 1/20 0.40
ADRB2 P07550 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 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
SCHEMBL3370568 0.85 DGAT2 (0.46) PPARAPPARDPPARGDGAT2SORT1
SCHEMBL10696371 0.81 DGAT2 (0.42) PPARAPPARDPPARGDGAT2SORT1
SCHEMBL13020077 0.80 NOS3 (0.48) PPARAPPARDPPARGDGAT2SORT1
SCHEMBL5150473 0.80 CYP4F2 (0.45) PPARAPPARDPPARGCYP4F2CYP4A11
SCHEMBL3476030 0.80 CYP4F2 (0.45) PPARAPPARDPPARGCYP4F2CYP4A11
SCHEMBL16458320 0.78 NOS3 (0.46) SORT1ALDH1A1GAAL3MBTL1NOS3
SCHEMBL201045 0.77 LMNA (0.50) PPARAPPARDPPARGCNR1
SCHEMBL27851782 0.76 ALDH1A1 (0.49) DGAT2SORT1ALDH1A1GAAL3MBTL1
Hydrochloric Acid SCHEMBL199908 0.76 LMNA (0.49) PPARAPPARDPPARGCNR1
SCHEMBL22401879 0.75 PTGDR2 (0.50) PPARAPPARDSORT1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496838-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2010-11-03 EP claimed
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
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-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-7754188-B2 Radiolabeled cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-13 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 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
CN-1639112-A Substituted amides having cannabinoid-1 receptor activity MERCK & CO INC (US) 2005-07-13 CN disclosed
WO-2005009479-A1 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-02-03 WO 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
WO-2004048317-A1 SUBSTITUTED AMIDES ACTIVE AT THE CANNABINOID-1 RECEPTOR MERCK & CO., INC. (US) 2004-06-10 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 (3 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-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG PPARA 780/4885PPARD 630/4885PPARG 297/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885PPARD 466/4885PPARG 129/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885PPARD 466/4885PPARG 129/4885

“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.