SCHEMBL3633186

SCHEMBL3633186

CCCC(=O)c1ccc(NCc2ccncc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
NAMPT P43490 6/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
MPI P34949 1/20 0.49
FRK P42685 1/20 0.48
CAMK2B Q13554 1/20 0.48
CAMK2G Q13555 1/20 0.48
CAMK2D Q13557 1/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B3 P37058 1/20 0.47
HDAC1 Q13547 3/20 0.46
KMT2A Q03164 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL3634267 0.83 ALDH1A1 (0.59) HTTNAMPTALDH1A1MAPTPOLB
SCHEMBL3634584 0.80 FRK (0.44) NAMPTALDH1A1MAPTPOLBL3MBTL1
SCHEMBL3635876 0.80 FRK (0.49) HTTNAMPTALDH1A1MAPTPOLB
SCHEMBL2636196 0.80 NAMPT (0.68) HTTNAMPTALDH1A1MAPTPOLB
Propyl 4-Pyridyl Ketone SCHEMBL4952700 0.79 HSD17B3 (0.61) ALDH1A1L3MBTL1KDM4EHSD17B3HDAC1
SCHEMBL3638758 0.79 FRK (0.46) NAMPTALDH1A1L3MBTL1FRKCAMK2B
SCHEMBL27539505 0.78 NAMPT (0.56) HTTNAMPTALDH1A1MAPTPOLB
SCHEMBL3636468 0.78 NAMPT (0.51) NAMPTALDH1A1L3MBTL1FRKCAMK2B
SCHEMBL3640124 0.77 NPC1 (0.52) NAMPTALDH1A1MAPTTDP1L3MBTL1
SCHEMBL3640387 0.77 FRK (0.44) ALDH1A1MAPTL3MBTL1MAPK1FRK

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 HTT 335/4885NAMPT 2546/4885ALDH1A1 3335/4885

“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.