SCHEMBL3636217

SCHEMBL3636217

CCCN1Cc2cc(OCc3c[nH]nc3-c3cccc(C(F)(F)F)c3)ccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.41
GRM5 P41594 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
ADORA2B P29275 2/20 0.39
MAOA P21397 3/20 0.37
DRD2 P14416 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
ADAM17 P78536 1/20 0.37
GRIN1 Q05586 5/20 0.36
GRIN2B Q13224 5/20 0.36
HTR2C P28335 1/20 0.36
MAOB P27338 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
SCHEMBL3633480 0.95 DRD2 (0.40) GRM1GRM5HRH3ADORA2BMAOA
SCHEMBL3635309 0.93 GRM5 (0.39) GRM1GRM5HRH3ADORA2BMAOA
SCHEMBL3632807 0.92 HRH3 (0.40) HRH3MAOADRD2DRD5DRD3
SCHEMBL3636194 0.92 HRH3 (0.40) HRH3MAOADRD2DRD5DRD3
SCHEMBL3639795 0.91 GRM1 (0.41) GRM1GRM5HRH3ADORA2BMAOA
SCHEMBL3639851 0.90 GRM1 (0.44) GRM1GRM5HRH3ADORA2BMAOA
SCHEMBL3635248 0.90 HRH3 (0.39) HRH3MAOADRD2DRD5DRD3
SCHEMBL3638895 0.89 ADAM17 (0.42) GRM1GRM5ADAM17
SCHEMBL3637626 0.88 GRM1 (0.40) GRM1GRM5ADORA2BMAOAADAM17
SCHEMBL3635212 0.85 PRF1 (0.40) GRM1GRM5HRH3MAOADRD2

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 GRM1 3/4885GRM5 5/4885HRH3 305/4885

“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.