SCHEMBL3636320

SCHEMBL3636320

CCCC(=O)c1cccc(NCc2n[nH]cc2-c2ccc(OC)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.45
TP53 P04637 3/20 0.43
RXFP1 Q9HBX9 2/20 0.43
ROCK2 O75116 4/20 0.43
PRKCA P17252 2/20 0.43
GRK2 P25098 2/20 0.43
DYRK1A Q13627 3/20 0.41
CLK1 P49759 1/20 0.41
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
GSK3B P49841 3/20 0.40
DYRK3 O43781 2/20 0.40
PRKD3 O94806 2/20 0.40
MAP4K4 O95819 2/20 0.40
NTRK1 P04629 2/20 0.40
CDK1 P06493 2/20 0.40
MARK3 P27448 2/20 0.40
AXL P30530 2/20 0.40
FLT4 P35916 2/20 0.40
FLT3 P36888 2/20 0.40

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
SCHEMBL3638223 0.89 HTR2B (0.38) PPARAROCK2PRKCAGRK2GSK3B
SCHEMBL3640383 0.88 MAPT (0.44) ROCK2DYRK1ACLK1GSK3BDYRK3
SCHEMBL3637047 0.76 FRK (0.44) GSK3BCAMK2BCAMK2GCAMK2DALDH1A1
SCHEMBL3633347 0.76 FRK (0.44) TP53PRKD3MAP4K4NTRK1AXL
SCHEMBL3636206 0.76 MAPT (0.48) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL3633947 0.74 FRK (0.61) PPARADYRK1ACLK1GSK3BCAMK2B
SCHEMBL3633010 0.72 EGFR (0.40) PPARAROCK2GRK2CAMK2BCAMK2G
SCHEMBL3640796 0.72 FRK (0.53) PPARAROCK2PRKCAGRK2GSK3B
SCHEMBL3635956 0.71 FRK (0.50) CAMK2BCAMK2GCAMK2DALDH1A1MAPT
SCHEMBL15576275 0.71 HDAC8 (0.59) PPARAKMT2ANPC1RAB9A

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 PPARA 435/4885TP53 4848/4885RXFP1 1103/4885

“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.