SCHEMBL3639581

SCHEMBL3639581

O=C1c2ccc(OCc3c[nH]nc3-c3cccc(F)c3)cc2CN1CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.40
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PIK3CG P48736 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PDE10A Q9Y233 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
TNIK Q9UKE5 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 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
SCHEMBL3637081 0.91 ADAM17 (0.39) ADAM17MAOAMAOBKDM4EALDH1A1
SCHEMBL3635248 0.90 HRH3 (0.39) ADAM17MAOAMAOBHDAC3HDAC4
SCHEMBL3637586 0.90 GRM1 (0.42) ADAM17MAOAMAOBKDM4EALDH1A1
SCHEMBL3636874 0.90 ADAM17 (0.44) ADAM17MAOAMAOBHDAC3HDAC4
SCHEMBL3639851 0.89 GRM1 (0.44) ADAM17MAOAMAOBKDM4EALDH1A1
SCHEMBL3635952 0.87 ADAM17 (0.40) ADAM17MAOAMAOBKDM4EALDH1A1
SCHEMBL3636642 0.85 MAOA (0.40) ADAM17MAOAMAOBHDAC3HDAC4
SCHEMBL3640389 0.82 ADAM17 (0.41) ADAM17MAOBHDAC3HDAC4HDAC1
SCHEMBL3636194 0.82 HRH3 (0.40) ADAM17MAOAMAOBHRH3ITGB3
SCHEMBL3635309 0.81 GRM5 (0.39) ADAM17MAOAMAOBHRH3ITGB3

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 4441/4885MAOA 984/4885MAOB 878/4885

“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.