SCHEMBL3639635

SCHEMBL3639635

CC(C)(C)c1n[nH]cc1CNc1cccc(OC(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALPG P10696 1/20 0.40
HPGD P15428 1/20 0.40
GRM4 Q14833 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NTRK1 P04629 1/20 0.37
ROCK2 O75116 1/20 0.36
GRK2 P25098 1/20 0.36
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
EP300 Q09472 1/20 0.36

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
SCHEMBL3637577 0.89 LMNA (0.40) MAPTNPSR1TDP1ALDH1A1ALPG
SCHEMBL3641194 0.88 MAPT (0.41) MAPTNPSR1TDP1ALDH1A1ALPG
SCHEMBL3634766 0.87 MAPT (0.41) MAPTNPSR1TDP1ALDH1A1ALPG
SCHEMBL3637102 0.86 MAPT (0.40) MAPTNPSR1TDP1ALDH1A1ALPG
SCHEMBL3638243 0.85 DHFR (0.43) MAPTNPSR1ALDH1A1LMNAHTT
SCHEMBL3633513 0.85 MAPT (0.52) MAPTNPSR1TDP1ALDH1A1ALPG
SCHEMBL3636247 0.84 MAPT (0.39) MAPTNPSR1TDP1ALDH1A1ALPG
SCHEMBL3638362 0.83 GRK2 (0.47) MAPTNPSR1TDP1ALDH1A1ALPG
SCHEMBL3637940 0.82 MAPT (0.44) MAPTNPSR1TDP1ALDH1A1ALPG
SCHEMBL3635913 0.80 MAPT (0.49) MAPTNPSR1TDP1ALDH1A1ALPG

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 KCNJ5 233/4885KCNJ3 277/4885MAPT 572/4885

“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.