SCHEMBL3374778

SCHEMBL3374778

CC(C)(Oc1cc(C(F)(F)F)ncn1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.40
CA2 P00918 1/20 0.40
CHKA P35790 1/20 0.40
CNR1 P21554 1/20 0.38
PPARA Q07869 12/20 0.37
PPARG P37231 7/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP4K4 O95819 1/20 0.36
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL13083367 0.91 PPARA (0.37) PPARDCNR1PPARAPPARGMEN1
SCHEMBL4693118 0.86 CA2 (0.42) PPARDCA2CHKACNR1
SCHEMBL23361197 0.74 PKM (0.50) PPARDCA2CHKAPPARAPPARG
SCHEMBL3370613 0.74 PPARA (0.48) PPARDCNR1PPARAPPARGCYP4F2
SCHEMBL3372140 0.69 PPARA (0.42) PPARAPPARGMEN1CYP1A2CYP3A4
SCHEMBL31067879 0.69 PPARA (0.50) PPARDPPARAPPARGMEN1CYP1A2
SCHEMBL201045 0.69 LMNA (0.50) PPARDCNR1PPARAPPARGKMT2A
SCHEMBL25213616 0.69 PPARA (0.50) PPARDPPARAPPARGMEN1CYP1A2
SCHEMBL28853423 0.69 LOXL2 (0.49)
SCHEMBL28788509 0.69 KDM4E (0.45) MEN1CYP1A2MAPTCYP2C19KMT2A

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 43 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
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-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
EP-1641493-A1 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-04-05 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
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 PPARD 630/4885CA2 3769/4885CHKA 887/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH PPARD 466/4885CA2 3372/4885CHKA 1187/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH PPARD 466/4885CA2 3372/4885CHKA 1187/4885

“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.