SCHEMBL3635245

SCHEMBL3635245

CCCCN1Cc2ccc(OC(=O)c3cn(C(=O)OC(C)(C)C)nc3-c3cccc(C(F)(F)F)c3)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.36
ATM Q13315 1/20 0.35
FAAH O00519 2/20 0.33
CNR2 P34972 2/20 0.33
CXCR1 P25024 1/20 0.33
TLR8 Q9NR97 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
GHSR Q92847 1/20 0.32
RXRA P19793 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
XPO1 O14980 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL3640818 0.92 MAP2K4 (0.39) MAP2K4ATMGHSRRXRANR1H2
SCHEMBL3638129 0.87 GAA (0.34) MAP2K4GHSRRXRANR1H2NR1H3
SCHEMBL3639870 0.86 TP53 (0.33) GHSRTP53HDAC8CSNK1DCSNK1E
SCHEMBL3635358 0.86 MMP2 (0.34) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3634736 0.81 DRD2 (0.34) GHSR
SCHEMBL3638845 0.78 ACACB (0.38) CYP3A4CYP2C9RXRANR1H2NR1H3
SCHEMBL3800281 0.78 L3MBTL1 (0.36) MAP2K4ATMNR1H2NR1H3TP53
SCHEMBL3635244 0.74 RXRA (0.35) MAP2K4RXRANR1H2NR1H3PTGDR2
SCHEMBL3640816 0.69 RXRA (0.37) MAP2K4RXRANR1H2NR1H3
SCHEMBL10989292 0.65 MEN1 (0.53) TSHRXPO1GAA

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 MAP2K4 3577/4885ATM 3967/4885FAAH 340/4885

“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.