SCHEMBL3374716

SCHEMBL3374716

CCOC(=O)C(C)(C)Oc1ccc(Cl)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.62
ABCB11 O95342 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
TSHR P16473 1/20 0.62
HTR2A P28223 1/20 0.62
PMP22 Q01453 1/20 0.62
CNR1 P21554 2/20 0.46
CNR2 P34972 1/20 0.46
FBP1 P09467 7/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
OPRK1 P41145 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAP4K4 O95819 1/20 0.44
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.39
PPARG P37231 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 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
Hydrochloric Acid SCHEMBL2830491 0.82 ABCB11 (0.40) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL524841 0.81 POLB (0.51) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL2824496 0.80 MAP4K4 (0.61) PPARACYP1A2CYP3A4CNR1CNR2
SCHEMBL3528526 0.80 PPARA (0.45) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL2826311 0.79 MAP4K4 (0.50) PPARACYP1A2CYP3A4CNR1CNR2
Clofibrate SCHEMBL2356 0.77 PPARA (1.00) PPARAABCB11CYP1A2CYP3A4TSHR
Clofibrate SCHEMBL3953607 0.77 PPARA (1.00) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL2826902 0.77 NPSR1 (0.39) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL2826905 0.77 NPSR1 (0.39) PPARAABCB11CYP1A2CYP3A4TSHR
Clofibrate SCHEMBL11180679 0.76 PPARA (0.97) PPARAABCB11CYP1A2CYP3A4TSHR

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 33 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-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-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-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 (4 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 780/4885ABCB11 1316/4885CYP1A2 1121/4885
US-20090137529-A1 SUBSTITUTED ESTERS AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, CHRNA10 PPARA 478/4885ABCB11 2329/4885CYP1A2 1404/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885ABCB11 1755/4885CYP1A2 883/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885ABCB11 1755/4885CYP1A2 883/4885

“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.