SCHEMBL3640243

SCHEMBL3640243

CCCC(=O)c1ccc(OCc2cn(C(=O)OC(C)(C)C)nc2-c2cccc(F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.38
MAOB P27338 3/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
GRM5 P41594 1/20 0.36
BTK Q06187 1/20 0.36
NR4A2 P43354 1/20 0.36
RXRA P19793 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
FFAR1 O14842 1/20 0.36
PARP10 Q53GL7 1/20 0.35
MAPT P10636 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAP2K4 P45985 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3634569 0.89 BTK (0.39) MMP1MAOBBTKNR4A2FFAR1
SCHEMBL3634536 0.79 MMP1 (0.44) MMP1MAOBTRPM8GRM5NR4A2
SCHEMBL3639868 0.79 GRM1 (0.39) GRM5ALDH1A1NPC1RAB9A
SCHEMBL3635321 0.70 FRK (0.40) MMP1ALDH1A1MAP2K4PTGDR2L3MBTL1
SCHEMBL3640816 0.69 RXRA (0.37) GRM5RXRANR1H2NR1H3MAP2K4
SCHEMBL3635244 0.69 RXRA (0.35) GRM5RXRANR1H2NR1H3MAP2K4
SCHEMBL3635074 0.68 MAOB (0.47) MAOBNR4A2RXRANR1H2NR1H3
SCHEMBL3639870 0.68 TP53 (0.33) GRM5MAPTALDH1A1NPC1RAB9A
SCHEMBL3636640 0.67 MMP1 (0.44) MMP1MAOBNR4A2FFAR1PARP10
SCHEMBL3635319 0.66 FRK (0.38) MMP1ALDH1A1MAP2K4L3MBTL1

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 MMP1 4862/4885MAOB 878/4885TRPM8 275/4885

“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.