SCHEMBL3635754

SCHEMBL3635754

O=C1c2ccc(OCc3c[nH]nc3-c3ccccc3)cc2CN1CCCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.40
MAOB P27338 2/20 0.38
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
F10 P00742 2/20 0.36
AOC3 Q16853 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ADORA3 P0DMS8 3/20 0.34
ADORA2A P29274 3/20 0.34
ADORA2B P29275 3/20 0.34
ADORA1 P30542 3/20 0.34
HRH3 Q9Y5N1 3/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 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
SCHEMBL3640389 0.95 ADAM17 (0.41) ADAM17MAOBITGB3ITGA2BF10
SCHEMBL3634660 0.91 MAOB (0.39) ADAM17MAOBITGB3ITGA2BF10
SCHEMBL3640741 0.89 ADAM17 (0.41) ADAM17ITGB3ITGA2BF10
SCHEMBL3639417 0.88 MAOB (0.36) ADAM17MAOBITGB3ITGA2BF10
SCHEMBL3637071 0.88 ADAM17 (0.40) ADAM17ITGB3ITGA2BF10AOC3
SCHEMBL3638895 0.87 ADAM17 (0.42) ADAM17ITGB3ITGA2BF10PRMT5
SCHEMBL3633743 0.86 ADAM17 (0.43) ADAM17MAOBITGB3ITGA2BF10
SCHEMBL3637081 0.86 ADAM17 (0.39) ADAM17MAOBITGB3ITGA2BF10
SCHEMBL3634733 0.86 MAOB (0.39) ADAM17MAOBITGB3ITGA2BF10
SCHEMBL3635308 0.86 ALOX5AP (0.39) ADAM17MAOBITGB3ITGA2BF10

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 4441/4885MAOB 878/4885ITGB3 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.