SCHEMBL3634736

SCHEMBL3634736

CCCN1CCc2cc(OC(=O)c3cn(C(=O)OC(C)(C)C)nc3-c3ccc(C(F)(F)F)cc3)ccc2C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
HSP90AA1 P07900 1/20 0.34
GHSR Q92847 1/20 0.34
ESR2 Q92731 2/20 0.34
MOGAT2 Q3SYC2 6/20 0.34
ESR1 P03372 1/20 0.34
ACACB O00763 2/20 0.34
GPR119 Q8TDV5 1/20 0.33
JAK2 O60674 2/20 0.33
JAK3 P52333 2/20 0.33
PTK2 Q05397 2/20 0.33
CTSS P25774 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 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
SCHEMBL3638129 0.94 GAA (0.34) GHSRGPR119CTSS
SCHEMBL3638845 0.83 ACACB (0.38) ACACBGPR119
SCHEMBL3640818 0.82 MAP2K4 (0.39) GHSRMOGAT2GPR119PRMT5WDR77
SCHEMBL3635358 0.82 MMP2 (0.34)
SCHEMBL3800281 0.81 L3MBTL1 (0.36) GPR119
SCHEMBL3635245 0.81 MAP2K4 (0.36) GHSR
SCHEMBL3639870 0.81 TP53 (0.33) HSP90AA1GHSRJAK2JAK3
SCHEMBL3634732 0.72 HRH3 (0.42)
SCHEMBL3638127 0.70 PPARD (0.36)
SCHEMBL8472709 0.69 ACACB (0.46) DRD3ACACBPRMT5WDR77

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 5 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 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 DRD2 143/4885DRD3 329/4885HSP90AA1 1977/4885

“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.