SCHEMBL3639870

SCHEMBL3639870

CCCN1Cc2ccc(OC(=O)c3cn(C(=O)OC(C)(C)C)nc3-c3cccc(F)c3)cc2C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
ROCK1 Q13464 1/20 0.33
NR1D1 P20393 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 3/20 0.32
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
HTT P42858 3/20 0.32
HDAC8 Q9BY41 2/20 0.32
BCL2A1 Q16548 1/20 0.32
CSNK1D P48730 2/20 0.31
GHSR Q92847 1/20 0.31
JAK2 O60674 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.31
JAK3 P52333 1/20 0.31
HSP90AA1 P07900 1/20 0.31
JAK1 P23458 1/20 0.31

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 0.86 GAA (0.34) ROCK1GHSR
SCHEMBL3635245 0.86 MAP2K4 (0.36) TP53HDAC8CSNK1DGHSRCSNK1E
SCHEMBL3640818 0.84 MAP2K4 (0.39) TP53ALDH1A1CSNK1DGHSRCSNK1E
SCHEMBL3635358 0.84 MMP2 (0.34) ROCK1ALDH1A1LMNAHDAC8
SCHEMBL3634736 0.81 DRD2 (0.34) GHSRJAK2JAK3HSP90AA1
SCHEMBL3638845 0.74 ACACB (0.38) ROCK1ALDH1A1
SCHEMBL3800281 0.74 L3MBTL1 (0.36) TP53ROCK1ALDH1A1MAPT
SCHEMBL3639868 0.72 GRM1 (0.39) KDM4EALDH1A1LMNAGRM5GRM1
SCHEMBL3640243 0.68 MMP1 (0.38) ALDH1A1GRM5NPC1RAB9AMAPT
SCHEMBL2511077 0.67 DRD2 (0.36)

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 TP53 4848/4885ROCK1 3905/4885NR1D1 332/4885

“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.