SCHEMBL3633918

SCHEMBL3633918

Cc1cccc(Oc2ccc(NCc3c[nH]nc3C(C)(C)C)cc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
CRHBP P24387 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CRHR2 Q13324 1/20 0.39
MAOA P21397 5/20 0.39
DHFR P00374 1/20 0.39
FFAR1 O14842 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK8 P45983 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL3636365 0.91 MAOA (0.43) GAAALDH1A1POLBMAOAMEN1
SCHEMBL3639213 0.83 MAOA (0.42) GAAALDH1A1POLBMAOAMEN1
SCHEMBL3641240 0.83 MAOA (0.42) GAAALDH1A1POLBMAOAMEN1
SCHEMBL3639367 0.82 HTT (0.39) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL3635509 0.82 CACNA1B (0.43) GAAALDH1A1POLBMAOAFFAR1
SCHEMBL3641121 0.81 CACNA1B (0.44) MAOAMAPK8
SCHEMBL3637932 0.81 RAF1 (0.43) GAAALDH1A1POLBFFAR1HTT
SCHEMBL3633948 0.81 POLB (0.45) GAAALDH1A1POLBMAOAMEN1
SCHEMBL3635086 0.79 LMNA (0.38) GAAALDH1A1POLBMAOAMEN1
SCHEMBL3635300 0.79 SCN9A (0.39) ALDH1A1POLBMEN1KMT2AMAPT

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 2566/4885ALDH1A1 3335/4885POLB 4225/4885

“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.