SCHEMBL3634732

SCHEMBL3634732

CCCN1CCc2cc(OCc3cn(C(=O)OC(C)(C)C)nc3-c3ccc(C(F)(F)F)cc3)ccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.42
AOC3 Q16853 8/20 0.38
ITGB3 P05106 6/20 0.38
ITGA2B P08514 6/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KCNH2 Q12809 1/20 0.36

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 0.93 PPARD (0.36) HRH3ITGB3ITGA2BMAOAMAOB
SCHEMBL3638843 0.82 RXRA (0.38) ITGB3ITGA2BMAOAMAOB
SCHEMBL3800280 0.81 NR1H4 (0.39) AOC3MAOAMAOB
SCHEMBL3637566 0.81 HRH3 (0.48) HRH3AOC3ITGB3ITGA2BMAOA
SCHEMBL3635244 0.81 RXRA (0.35) HRH3
SCHEMBL3640816 0.80 RXRA (0.37) HRH3ITGB3ITGA2BMAOA
SCHEMBL3639868 0.80 GRM1 (0.39) ITGB3ITGA2B
SCHEMBL3635357 0.79 PRF1 (0.36) ITGB3ITGA2B
SCHEMBL3639414 0.79 JAK1 (0.35) HRH3
SCHEMBL3639795 0.73 GRM1 (0.41) HRH3ITGB3ITGA2BMAOAMAOB

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 HRH3 305/4885AOC3 3112/4885ITGB3 4702/4885

“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.