SCHEMBL3637578

SCHEMBL3637578

COc1ccc(NCc2c[nH]nc2C(C)(C)C)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GFER P55789 1/20 0.45
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
APLNR P35414 1/20 0.41
APAF1 O14727 1/20 0.41
RECQL P46063 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
HPGD P15428 1/20 0.40
LPAR1 Q92633 1/20 0.39
GPX4 P36969 1/20 0.39
CYP1A1 P04798 1/20 0.39

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
SCHEMBL3637050 0.90 DHFR (0.47) GAAKMT2AMEN1MAPTKDM4E
SCHEMBL3638046 0.83 L3MBTL1 (0.46) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL3637131 0.80 GAA (0.47) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL3640778 0.79 DHFR (0.40) GAAALDH1A1MAPTKDM4ETDP1
SCHEMBL3633513 0.79 MAPT (0.52) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL3641519 0.78 ALDH1A1 (0.45) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL3634508 0.77 MAPT (0.52) GAAKMT2AMEN1GFERALDH1A1
SCHEMBL3639626 0.77 ACP1 (0.45) GAAKMT2AMEN1GFERALDH1A1
SCHEMBL3635065 0.75 MAPT (0.48) GAAKMT2AMEN1GFERALDH1A1
SCHEMBL3636265 0.75 DHFR (0.43) GAAKMT2AMEN1GFERALDH1A1

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 4 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-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 GAA 2566/4885KMT2A 595/4885MEN1 4628/4885

“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.