SCHEMBL3634569

SCHEMBL3634569

CCCC(=O)c1ccc(OCc2cn(C(=O)OC(C)(C)C)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.39
MMP1 P03956 1/20 0.39
HTR7 P34969 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAOB P27338 2/20 0.35
GRIA1 P42261 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
GPR119 Q8TDV5 1/20 0.34
HPGD P15428 1/20 0.34
NR4A2 P43354 1/20 0.34
FFAR1 O14842 2/20 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
SCHEMBL3640243 0.89 MMP1 (0.38) BTKMMP1ALDH1A1MAOBNPC1
SCHEMBL3636640 0.77 MMP1 (0.44) MMP1HTR7ALDH1A1GAAMAOB
SCHEMBL3635321 0.76 FRK (0.40) MMP1ALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL3635319 0.70 FRK (0.38) MMP1ALDH1A1SMN1; SMN2L3MBTL1GPR119
SCHEMBL15750527 0.70 L3MBTL1 (0.41) ALDH1A1GRIA1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL15750698 0.69 CA12 (0.47) BTKGRIA1
SCHEMBL3634732 0.68 HRH3 (0.42) MAOB
SCHEMBL3636601 0.68 FRK (0.48) ALDH1A1MAOBFFAR1FFAR4
SCHEMBL15750524 0.67 CA12 (0.38) GRIA1
SCHEMBL3636632 0.67 MAPT (0.45) MMP1ALDH1A1MAOBSMN1; SMN2NPC1

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 BTK 4271/4885MMP1 4862/4885HTR7 87/4885

“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.