SCHEMBL3638843

SCHEMBL3638843

CC(C)(C)OC(=O)n1cc(COc2ccc3c(c2)CN(Cc2ccc(OC(F)(F)F)cc2)C3=O)c(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.38
NR1H2 P55055 4/20 0.38
NR1H3 Q13133 2/20 0.38
CHRM5 P08912 2/20 0.37
CACNA1H O95180 1/20 0.36
PPARD Q03181 4/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
GRM2 Q14416 1/20 0.35
GRIN2B Q13224 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 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
SCHEMBL3638127 0.88 PPARD (0.36) RXRANR1H2NR1H3PPARDMAOA
SCHEMBL3800280 0.83 NR1H4 (0.39) RXRANR1H2NR1H3PPARDMAOA
SCHEMBL3634732 0.82 HRH3 (0.42) MAOAMAOBITGB3ITGA2B
SCHEMBL3637410 0.81 CHRM5 (0.42) CHRM5PPARDMAOAMAOBITGB3
SCHEMBL3640816 0.81 RXRA (0.37) RXRANR1H2NR1H3MAOAITGB3
SCHEMBL3635357 0.79 PRF1 (0.36) ITGB3ITGA2B
SCHEMBL3635244 0.79 RXRA (0.35) RXRANR1H2NR1H3GRIN2B
SCHEMBL3639868 0.75 GRM1 (0.39) ITGB3ITGA2B
SCHEMBL3638845 0.74 ACACB (0.38) RXRANR1H2NR1H3CHRM5CACNA1H
SCHEMBL3639414 0.74 JAK1 (0.35) NR1H2NR1H3

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 RXRA 1135/4885NR1H2 493/4885NR1H3 692/4885

“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.