SCHEMBL3638362

SCHEMBL3638362

CC(C)(C)c1n[nH]cc1CNc1cccc(Oc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 1/20 0.47
CACNA1B Q00975 5/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ALPG P10696 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
FFAR1 O14842 6/20 0.43
F2 P00734 1/20 0.38
GNA15 P30679 1/20 0.38
PTGER3 P43115 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MITF O75030 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3635509 0.89 CACNA1B (0.43) CACNA1BTDP1MAPTNPSR1ALDH1A1
SCHEMBL3633513 0.88 MAPT (0.52) GRK2TDP1MAPTNPSR1ALDH1A1
SCHEMBL3640679 0.86 MAOB (0.40) TDP1MAPTNPSR1ALDH1A1ALPG
SCHEMBL3637932 0.85 RAF1 (0.43) TDP1ALDH1A1HTTFFAR1F2
SCHEMBL3634766 0.84 MAPT (0.41) TDP1MAPTNPSR1ALDH1A1ALPG
SCHEMBL3639635 0.83 KCNJ5 (0.41) GRK2TDP1MAPTNPSR1ALDH1A1
SCHEMBL3641194 0.83 MAPT (0.41) GRK2TDP1MAPTNPSR1ALDH1A1
SCHEMBL3641235 0.82 MAOB (0.43) TDP1MAPTNPSR1ALDH1A1ALPG
SCHEMBL3635913 0.82 MAPT (0.49) TDP1MAPTNPSR1ALDH1A1ALPG
SCHEMBL3640671 0.82 TTBK1 (0.45) CACNA1BMAPTLMNAFFAR1

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 GRK2 26/4885CACNA1B 462/4885TDP1 3208/4885

“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.