SCHEMBL3633805

SCHEMBL3633805

CC(C)(C)c1n[nH]cc1CNc1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 3/20 0.42
ROCK2 O75116 1/20 0.42
GRK2 P25098 1/20 0.42
MAOB P27338 1/20 0.41
DHFR P00374 1/20 0.41
EGFR P00533 3/20 0.39
MAPT P10636 5/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRM5 P41594 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
ALPG P10696 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3637624 0.86 ALDH1A1 (0.41) ALDH1A1L3MBTL1HPGD
SCHEMBL3635913 0.85 MAPT (0.49) KDM4EALDH1A1MAPTL3MBTL1NPSR1
SCHEMBL3641235 0.85 MAOB (0.43) ALDH1A1GAAMAOBEGFRMAPT
SCHEMBL3637940 0.84 MAPT (0.44) KDM4EALDH1A1GAAMAOBMAPT
SCHEMBL3634678 0.83 MEN1 (0.42) ALDH1A1GAAROCK2GRK2DHFR
SCHEMBL3640679 0.83 MAOB (0.40) KDM4EALDH1A1GAAMAOBMAPT
SCHEMBL3633513 0.83 MAPT (0.52) KDM4EALDH1A1GAAROCK2GRK2
SCHEMBL3635100 0.83 MAPT (0.46) KDM4EALDH1A1DHFRMAPTL3MBTL1
SCHEMBL3635877 0.82 MAPT (0.52) KDM4EGAAMAOBEGFRMAPT
SCHEMBL3638321 0.82 NOS1 (0.46) ALDH1A1GAAMAOBMAPTNPSR1

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 KDM4E 1894/4885ALDH1A1 3335/4885GAA 2566/4885

“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.