SCHEMBL3640387

SCHEMBL3640387

CCCC(=O)c1ccc(NCc2cnn(C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FRK P42685 1/20 0.44
CAMK2B Q13554 1/20 0.44
CAMK2G Q13555 1/20 0.44
CAMK2D Q13557 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HSD17B3 P37058 1/20 0.42
SLC27A1 Q6PCB7 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.40
PIK3CA P42336 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
ACACB O00763 1/20 0.39

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
SCHEMBL3639381 0.86 GAA (0.46) FRKCAMK2BCAMK2GCAMK2DTSHR
SCHEMBL3803001 0.84 FRK (0.42) FRKCAMK2BCAMK2GCAMK2DKMT2A
SCHEMBL3633819 0.81 SLC27A1 (0.46) MEN1KMT2AHSD17B10SLC27A1SMN1; SMN2
SCHEMBL15152430 0.78 MEN1 (0.51) TSHRMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL3633186 0.77 HTT (0.51) FRKCAMK2BCAMK2GCAMK2DKMT2A
SCHEMBL3634550 0.76 HDAC1 (0.52) FRKCAMK2BCAMK2GCAMK2DHSD17B10
SCHEMBL3635307 0.76 RAB9A (0.49) FRKCAMK2BCAMK2GCAMK2DTSHR
SCHEMBL3637892 0.75 SLC27A1 (0.44) FRKCAMK2BCAMK2GCAMK2DTSHR
SCHEMBL3634267 0.75 ALDH1A1 (0.59) TSHRMEN1KMT2AGAAALDH1A1
SCHEMBL3637944 0.75 KDM4C (0.54) FRKCAMK2BCAMK2GCAMK2DKMT2A

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.