SCHEMBL3371452

SCHEMBL3371452

CCOC(=O)C(C)(C)Oc1ccc(C)nc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 4/20 0.61
▸ ABCB11 O95342 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ HTR2A P28223 1/20 0.61
▸ PMP22 Q01453 1/20 0.61
▸ FBP1 P09467 8/20 0.50
▸ PPARG P37231 3/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ OPRK1 P41145 1/20 0.40
▸ GRM2 Q14416 1/20 0.40

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
SCHEMBL197217 0.87 PPARA (0.60) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL610263 0.85 PPARA (0.58) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL611776 0.85 PPARA (0.67) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL25262066 0.83 PPARA (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL31067888 0.83 PPARA (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL16248094 0.82 PPARA (0.55) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3374593 0.81 PPARA (0.54) PPARACYP1A2CYP3A4TSHRPPARG
SCHEMBL1969926 0.81 PPARA (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11548436 0.79 PPARA (0.76) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3903999 0.79 PPARA (0.76) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7550489-B2 Substituted pyridyoxy amides MERCK & CO., INC. (US) 2009-06-23 — — US disclosed
US-20080171692-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-07-17 — — US disclosed
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 — — 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-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 — — EP 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-20080171692-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885ABCB11 1755/4885CYP1A2 883/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG PPARA 780/4885ABCB11 1316/4885CYP1A2 1121/4885
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.

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