SCHEMBL4914859

SCHEMBL4914859

CCCC(=O)c1ccc(NC(C)c2c[nH]nc2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FRK P42685 1/20 0.49
CAMK2B Q13554 1/20 0.49
CAMK2G Q13555 1/20 0.49
CAMK2D Q13557 1/20 0.49
HRH3 Q9Y5N1 2/20 0.39
MMP1 P03956 1/20 0.38
GSK3B P49841 1/20 0.38
MAP2K4 P45985 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPK6 Q16659 1/20 0.38
TRPV1 Q8NER1 4/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
CYP3A4 P08684 1/20 0.37
MCHR1 Q99705 3/20 0.37
PPARD Q03181 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HPGD P15428 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 0.81 FRK (0.67) FRKCAMK2BCAMK2GCAMK2DMMP1
SCHEMBL4913626 0.80 FRK (0.67) FRKCAMK2BCAMK2GCAMK2DHRH3
SCHEMBL4917855 0.80 FRK (0.51) FRKCAMK2BCAMK2GCAMK2DGSK3B
SCHEMBL4922084 0.79 HSD17B3 (0.40) FRKCAMK2BCAMK2GCAMK2DMAPK1
SCHEMBL3636601 0.76 FRK (0.48) FRKCAMK2BCAMK2GCAMK2DALDH1A1
SCHEMBL3638729 0.76 FRK (0.48) FRKCAMK2BCAMK2GCAMK2DMMP1
SCHEMBL4918986 0.75 L3MBTL1 (0.42) MAPK1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL3640830 0.74 FRK (0.48) FRKCAMK2BCAMK2GCAMK2DMMP1
SCHEMBL3636246 0.74 FRK (0.46) FRKCAMK2BCAMK2GCAMK2DMMP1
SCHEMBL3633947 0.74 FRK (0.61) FRKCAMK2BCAMK2GCAMK2DMMP1

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 3 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
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.