SCHEMBL3636247

SCHEMBL3636247

CCCC(C)Oc1cccc(NCc2c[nH]nc2C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ALPG P10696 1/20 0.38
HPGD P15428 1/20 0.38
HDAC4 P56524 1/20 0.35
MEF2D Q14814 1/20 0.35
PPARA Q07869 4/20 0.34
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
DHODH Q02127 1/20 0.33
GRM2 Q14416 1/20 0.33
ROCK2 O75116 1/20 0.32
GRK2 P25098 1/20 0.32
IDH1 O75874 1/20 0.32
MCHR1 Q99705 1/20 0.32
NOS1 P29475 1/20 0.32

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
SCHEMBL3637102 0.91 MAPT (0.40) MAPTNPSR1TDP1LMNAHTT
SCHEMBL3641194 0.87 MAPT (0.41) MAPTNPSR1TDP1LMNAHTT
SCHEMBL3639635 0.84 KCNJ5 (0.41) MAPTNPSR1TDP1LMNAHTT
SCHEMBL3633513 0.82 MAPT (0.52) MAPTNPSR1TDP1LMNAHTT
SCHEMBL4914729 0.82 GAA (0.42) MAPTLMNAHTTALDH1A1HPGD
SCHEMBL3636200 0.81 MAPT (0.42) MAPTNPSR1TDP1LMNAHTT
SCHEMBL3638187 0.80 MAPT (0.37) MAPTNPSR1LMNAPPARADHODH
SCHEMBL3638362 0.80 GRK2 (0.47) MAPTNPSR1TDP1LMNAHTT
SCHEMBL3636752 0.79 POLB (0.35) MAPTNPSR1LMNAALDH1A1HPGD
SCHEMBL3634766 0.79 MAPT (0.41) MAPTNPSR1TDP1LMNAHTT

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 MAPT 572/4885NPSR1 184/4885TDP1 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.