SCHEMBL3637577

SCHEMBL3637577

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
ABL1 P00519 3/20 0.39
BCR P11274 3/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALPG P10696 1/20 0.39
HPGD P15428 1/20 0.39
PRKCA P17252 3/20 0.39
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
PRKCD Q05655 1/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK1 P06493 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
SCHEMBL3634766 0.90 MAPT (0.41) LMNAMAPTNPSR1TDP1ALDH1A1
SCHEMBL3639635 0.89 KCNJ5 (0.41) LMNAMAPTNPSR1TDP1ALDH1A1
SCHEMBL3639205 0.86 TRPV1 (0.43) POLBMAPTNPSR1ALDH1A1HTT
SCHEMBL3633513 0.83 MAPT (0.52) LMNAMAPTNPSR1TDP1ALDH1A1
SCHEMBL3641194 0.82 MAPT (0.41) LMNAPOLBMAPTNPSR1TDP1
SCHEMBL3638362 0.81 GRK2 (0.47) LMNAPOLBMAPTNPSR1TDP1
SCHEMBL3635877 0.80 MAPT (0.52) LMNAABL1MAPTNPSR1EGFR
SCHEMBL3637102 0.80 MAPT (0.40) LMNAPOLBMAPTNPSR1TDP1
SCHEMBL3637940 0.80 MAPT (0.44) LMNAPOLBMAPTNPSR1TDP1
SCHEMBL3635913 0.78 MAPT (0.49) LMNAPOLBMAPTNPSR1TDP1

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 LMNA 4827/4885POLB 4225/4885ABL1 2680/4885

“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.