SCHEMBL3638845

SCHEMBL3638845

CC(C)(C)OC(=O)n1cc(C(=O)Oc2ccc3c(c2)CN(Cc2ccc(OC(F)(F)F)cc2)C3)c(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
CACNA1H O95180 1/20 0.38
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
SERPINE1 P05121 1/20 0.37
ACHE P22303 1/20 0.37
TNF P01375 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
STAT3 P40763 1/20 0.36
CHRM5 P08912 1/20 0.35
ROCK1 Q13464 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ABHD6 Q9BV23 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
RXRA P19793 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
GCGR P47871 2/20 0.33

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
SCHEMBL3638129 0.88 GAA (0.34) ROCK1GPR119RXRANR1H2NR1H3
SCHEMBL3634736 0.83 DRD2 (0.34) ACACBGPR119
SCHEMBL3800281 0.83 L3MBTL1 (0.36) ROCK1ALDH1A1GPR119NR1H2NR1H3
SCHEMBL3640818 0.82 MAP2K4 (0.39) ALDH1A1GPR119RXRANR1H2NR1H3
SCHEMBL3635358 0.79 MMP2 (0.34) CACNA1HROCK1ALDH1A1CYP2C9MEN1
SCHEMBL3635245 0.78 MAP2K4 (0.36) RXRANR1H2NR1H3CYP3A4CYP2C9
SCHEMBL3638843 0.74 RXRA (0.38) CACNA1HPPARDPPARACHRM5RXRA
SCHEMBL3639870 0.74 TP53 (0.33) ROCK1ALDH1A1
SCHEMBL8473578 0.68 ACACB (0.47) ACACBTNFNOD2NOD1
SCHEMBL8472709 0.67 ACACB (0.46) ACACBTNFNOD2NOD1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242933-B2 Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2 (mGlu2 receptor) AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-26 US disclosed
EP-2167464-B1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBVIE DEUTSCHLAND (DE) 2014-12-03 EP disclosed
EP-2167464-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) Abbott GmbH & Co. KG (DE) 2010-03-31 EP disclosed
WO-2008145616-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBOTT GMBH & CO. KG (DE) 2008-12-04 WO disclosed
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-12-04 US 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 (1 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-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) GRM2, GRIN2C, GRM1 ACACB 1969/4885CACNA1H 879/4885PPARD 304/4885

“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.