SCHEMBL3633743

SCHEMBL3633743

O=C1c2ccc(OCc3c[nH]nc3-c3ccc(F)cc3)cc2CN1CCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.43
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
MAOB P27338 3/20 0.35
MAOA P21397 2/20 0.35
F10 P00742 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
GRM1 Q13255 2/20 0.34
GRM5 P41594 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
SCHEMBL3634733 0.92 MAOB (0.39) ADAM17ITGB3ITGA2BMAOBMAOA
SCHEMBL3635308 0.92 ALOX5AP (0.39) ADAM17ITGB3ITGA2BMAOBMAOA
SCHEMBL3640389 0.92 ADAM17 (0.41) ADAM17ITGB3ITGA2BMAOBF10
SCHEMBL3636874 0.91 ADAM17 (0.44) ADAM17GABRG2GABRB3GABRA5ADORA2A
SCHEMBL3637081 0.90 ADAM17 (0.39) ADAM17ITGB3ITGA2BMAOBMAOA
SCHEMBL3632696 0.90 ADAM17 (0.44) ADAM17GABRG2GABRB3GABRA5ADORA2A
SCHEMBL3632640 0.88 ADAM17 (0.43) ADAM17GABRG2GABRB3GABRA5ADORA2A
SCHEMBL3633739 0.88 ADAM17 (0.45) ADAM17GABRG2GABRB3GABRA5ADORA2A
SCHEMBL3634660 0.87 MAOB (0.39) ADAM17ITGB3ITGA2BMAOBMAOA
SCHEMBL3635754 0.86 ADAM17 (0.40) ADAM17ADORA2AADORA1ITGB3ITGA2B

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 7 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 claimed
EP-2167464-B1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBVIE DEUTSCHLAND (DE) 2014-12-03 EP claimed
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 ADAM17 4441/4885GABRG2 50/4885GABRB3 69/4885

“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.