SCHEMBL3638722

SCHEMBL3638722

CCCC(=O)c1ccc(NCc2cn(S(=O)(=O)CC(F)(F)F)nc2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FRK P42685 1/20 0.56
CAMK2B Q13554 1/20 0.56
CAMK2G Q13555 1/20 0.56
CAMK2D Q13557 1/20 0.56
MCHR1 Q99705 5/20 0.37
SCN9A Q15858 1/20 0.37
BRD4 O60885 1/20 0.35
EPHX2 P34913 1/20 0.35
MMP1 P03956 1/20 0.34
KIF11 P52732 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
FFAR1 O14842 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL3633216 0.84 FRK (0.62) FRKCAMK2BCAMK2GCAMK2DMCHR1
SCHEMBL4908812 0.84 NR1H4 (0.46) FRKCAMK2BCAMK2GCAMK2DMCHR1
SCHEMBL3634463 0.77 FRK (0.67) FRKCAMK2BCAMK2GCAMK2DMCHR1
SCHEMBL3637249 0.73 FRK (0.65) FRKCAMK2BCAMK2GCAMK2DMCHR1
SCHEMBL4917220 0.70 LMNA (0.53) FRKCAMK2BCAMK2GCAMK2DMCHR1
SCHEMBL3635400 0.70 CCNE1 (0.70) CCNE1CDK2MAPT
SCHEMBL31279403 0.69 HPGD (0.64) FRKCAMK2BCAMK2GCAMK2DMMP1
SCHEMBL3637909 0.69 CCNE1 (0.59) CCNE1CDK2MAPT
SCHEMBL3634440 0.68 FRK (0.58) FRKCAMK2BCAMK2GCAMK2DFFAR1
SCHEMBL3633947 0.68 FRK (0.61) FRKCAMK2BCAMK2GCAMK2DMCHR1

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 5 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-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.