SCHEMBL3632807

SCHEMBL3632807

O=C1c2ccc(OCc3c[nH]nc3-c3cccc(C(F)(F)F)c3)cc2CN1CCBr

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
DRD2 P14416 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
MAOA P21397 4/20 0.36
MAOB P27338 2/20 0.36
ADAM17 P78536 2/20 0.35
GRIN1 Q05586 5/20 0.34
GRIN2B Q13224 5/20 0.34
HTR2C P28335 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33

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
SCHEMBL3636217 0.92 GRM1 (0.41) HRH3DRD2DRD5DRD3MAOA
SCHEMBL3636194 0.92 HRH3 (0.40) HRH3DRD2DRD5DRD3MAOA
SCHEMBL3635898 0.91 MAOA (0.39) HRH3MAOAMAOBADAM17ITGB3
SCHEMBL3633480 0.90 DRD2 (0.40) HRH3DRD2DRD5DRD3MAOA
SCHEMBL3635248 0.90 HRH3 (0.39) HRH3DRD2DRD5DRD3MAOA
SCHEMBL3635309 0.90 GRM5 (0.39) HRH3MAOAMAOBADAM17GRIN1
SCHEMBL3637081 0.82 ADAM17 (0.39) HRH3MAOAMAOBADAM17ITGB3
SCHEMBL3639795 0.82 GRM1 (0.41) HRH3MAOAMAOBADAM17ITGB3
SCHEMBL3634733 0.82 MAOB (0.39) HRH3MAOAMAOBADAM17ITGB3
SCHEMBL3640389 0.81 ADAM17 (0.41) MAOBADAM17ITGB3ITGA2B

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 HRH3 305/4885DRD2 143/4885DRD5 383/4885

“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.