SCHEMBL5435680

SCHEMBL5435680

CCC(C)Cn1ccc(-c2ccccc2)c(C#N)c1=O

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
KDM4E B2RXH2 7/20 0.71
MAPK1 P28482 1/20 0.71
GRM2 Q14416 12/20 0.67
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL171929 0.81 GRM2 (1.00) ALDH1A1KDM4EMAPK1GRM2SMN1; SMN2
SCHEMBL5430782 0.75 ALDH1A1 (0.79) ALDH1A1KDM4EMAPK1GRM2POLB
SCHEMBL16793353 0.73 ALDH1A1 (1.00) ALDH1A1KDM4EMAPK1GRM2POLB
SCHEMBL5439922 0.72 ALDH1A1 (0.73) ALDH1A1KDM4EMAPK1GRM2POLB
SCHEMBL14865159 0.70 GRM2 (0.74) ALDH1A1KDM4EMAPK1GRM2
SCHEMBL11424115 0.69 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1GRM2POLB
SCHEMBL101093 0.69 GRM2 (0.69) GRM2
SCHEMBL171830 0.69 GRM2 (0.74) GRM2
SCHEMBL7051144 0.69 CD274 (0.45) ALDH1A1KDM4EMAPK1GRM2SMN1; SMN2
SCHEMBL171787 0.68 GRM2 (0.77) GRM2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101061098-B Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV 2012-05-23 CN claimed
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS ADDEX PHARMACEUTICALS S.A. (CH) 2013-05-02 US disclosed
US-8399493-B2 Pyridinone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2013-03-19 US disclosed
CN-101061098-B Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV 2012-05-23 CN disclosed
CN-101061098-A Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV (BE) 2007-10-24 CN disclosed
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Janssen Pharmaceuticals, Inc. 2007-09-13 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 (2 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-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 ALDH1A1 3403/4885KDM4E 1936/4885MAPK1 1538/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 ALDH1A1 2717/4885KDM4E 1707/4885MAPK1 1410/4885

“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.