SCHEMBL3640679

SCHEMBL3640679

CC(C)(C)c1n[nH]cc1CNc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
MAPT P10636 5/20 0.38
NPSR1 Q6W5P4 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALPG P10696 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
LTA4H P09960 1/20 0.38
HTT P42858 2/20 0.38
TAAR1 Q96RJ0 2/20 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
SCHEMBL3635509 0.89 CACNA1B (0.43) MAOBMAPTNPSR1ALDH1A1MEN1
SCHEMBL3638896 0.86 HTT (0.44) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL3638362 0.86 GRK2 (0.47) MAPTNPSR1ALDH1A1TDP1ALPG
SCHEMBL3634678 0.85 MEN1 (0.42) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL3636895 0.85 LMNA (0.40) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL3640664 0.85 MAPT (0.54) MAOBMAPTNPSR1ALDH1A1MEN1
SCHEMBL3635913 0.84 MAPT (0.49) MAPTNPSR1ALDH1A1MEN1KMT2A
SCHEMBL3641235 0.84 MAOB (0.43) MAOBMAPTNPSR1ALDH1A1TDP1
SCHEMBL3637131 0.84 GAA (0.47) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL3633805 0.83 KDM4E (0.45) MAOBMAPTNPSR1ALDH1A1TDP1

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 MAOB 878/4885MAPT 572/4885NPSR1 184/4885

“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.