SCHEMBL3633941

SCHEMBL3633941

CCCC(=O)c1ccc(N(C)Cc2cccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.53
DHODH Q02127 2/20 0.51
CHRNB2 P17787 2/20 0.49
CHRNA4 P43681 2/20 0.49
RIPK1 Q13546 1/20 0.48
ALDH1A1 P00352 1/20 0.47
PDK1 Q15118 2/20 0.46
LMNA P02545 2/20 0.45
TRPV1 Q8NER1 1/20 0.44
NAMPT P43490 1/20 0.43
GBA1 P04062 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3639389 0.86 GRM2 (0.55) GRM2DHODHCHRNB2CHRNA4RIPK1
SCHEMBL4593679 0.84 L3MBTL1 (0.57) HPGDSMN1; SMN2L3MBTL1
SCHEMBL3641266 0.79 GRM2 (0.65) GRM2LMNA
SCHEMBL3634267 0.75 ALDH1A1 (0.59) ALDH1A1LMNATRPV1NAMPT
SCHEMBL14753662 0.75 RIPK1 (0.66) GRM2CHRNB2CHRNA4RIPK1ALDH1A1
SCHEMBL3636599 0.75 GRM2 (0.59) GRM2ALDH1A1
SCHEMBL6608225 0.75 CHRNB2 (0.59) GRM2DHODHCHRNB2CHRNA4RIPK1
SCHEMBL10987362 0.75 CHRNB2 (0.59) GRM2DHODHCHRNB2CHRNA4RIPK1
SCHEMBL552724 0.74 PLOD2 (0.61) ALDH1A1LMNAL3MBTL1
SCHEMBL29350386 0.74 PLOD2 (0.61) ALDH1A1LMNAL3MBTL1

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 GRM2 1/4885DHODH 3309/4885CHRNB2 117/4885

“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.