SCHEMBL3640433

SCHEMBL3640433

CC(C)CCOc1ccc(NCc2c[nH]nc2C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.37
KMT2A Q03164 4/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.37
HSP90AA1 P07900 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CACNA1B Q00975 3/20 0.33
GALR3 O60755 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
SCHEMBL3635946 0.88 MAPT (0.38) KMT2ARAB9AMEN1NPC1LMNA
SCHEMBL3634675 0.86 MAPT (0.40) MAPK1KMT2ARAB9AMEN1NPC1
SCHEMBL3633546 0.86 MAPT (0.40) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL3636301 0.84 MAPT (0.48) TDP1MAPK1KMT2ARAB9AMEN1
SCHEMBL3640373 0.84 TTBK1 (0.37) MAPK1KMT2AMEN1LMNAMAPT
SCHEMBL3637131 0.81 GAA (0.47) TDP1MAPK1KMT2ARAB9AMEN1
SCHEMBL3638243 0.79 DHFR (0.43) MAPK1KMT2ARAB9AMEN1LMNA
SCHEMBL3640664 0.79 MAPT (0.54) TDP1KMT2ARAB9AMEN1NPC1
SCHEMBL3638896 0.78 HTT (0.44) TDP1MAPK1KMT2ARAB9AMEN1
SCHEMBL3635509 0.78 CACNA1B (0.43) TDP1KMT2AMEN1MAPTHSP90AA1

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 EPHX2 2119/4885TDP1 3208/4885MAPK1 2345/4885

“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.