SCHEMBL3640796

SCHEMBL3640796

CCCC(=O)c1cccc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FRK P42685 1/20 0.53
CAMK2B Q13554 1/20 0.53
CAMK2G Q13555 1/20 0.53
CAMK2D Q13557 1/20 0.53
PPARA Q07869 5/20 0.45
SETD7 Q8WTS6 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
ROCK2 O75116 4/20 0.40
GRK2 P25098 4/20 0.40
GSK3B P49841 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HTR2B P41595 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
GRK3 P35626 2/20 0.36
TRPA1 O75762 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
SCHEMBL3634463 0.88 FRK (0.67) FRKCAMK2BCAMK2GCAMK2DGSK3B
SCHEMBL3639427 0.88 PPARA (0.48) FRKCAMK2BCAMK2GCAMK2DPPARA
SCHEMBL3636737 0.85 PPARA (0.49) PPARASETD7EHMT2ROCK2GRK2
SCHEMBL4911762 0.84 RXFP1 (0.44) FRKCAMK2BCAMK2GCAMK2DPPARA
SCHEMBL3634755 0.83 FRK (0.55) FRKCAMK2BCAMK2GCAMK2DHDAC1
SCHEMBL3636282 0.82 ADORA2A (0.41) FRKCAMK2BCAMK2GCAMK2DHDAC8
SCHEMBL3636214 0.81 MAPT (0.49) PPARAMAPTGAASMN1; SMN2EGFR
SCHEMBL3636135 0.80 ERBB2 (0.47) PPARAMAPTGAASMN1; SMN2CYP1A2
SCHEMBL3641220 0.80 FRK (0.40) FRKCAMK2BCAMK2GCAMK2DGSK3B
SCHEMBL3633010 0.80 EGFR (0.40) FRKCAMK2BCAMK2GCAMK2DPPARA

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 6 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 claimed
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-B1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBVIE DEUTSCHLAND (DE) 2014-12-03 EP 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 FRK 2372/4885CAMK2B 250/4885CAMK2G 288/4885

“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.