SCHEMBL15923482

SCHEMBL15923482

CC(C)c1[nH]c(=O)c(C#N)c2c1CCCC2

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
KDM4E B2RXH2 8/20 0.63
HPGD P15428 5/20 0.61
KMT2A Q03164 1/20 0.58
HIF1A Q16665 1/20 0.57
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HSD11B1 P28845 8/20 0.50
HTT P42858 1/20 0.43
PDE9A O76083 1/20 0.43
GAA P10253 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
APOBEC3G Q9HC16 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
SCHEMBL7271706 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDKMT2AHIF1A
SCHEMBL16935203 0.76 ALDH1A1 (0.96) ALDH1A1KDM4EHPGDKMT2AHIF1A
SCHEMBL9846227 0.74 ALDH1A1 (0.93) ALDH1A1KDM4EHPGDKMT2AHIF1A
SCHEMBL16935255 0.71 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDKMT2AHIF1A
SCHEMBL16935340 0.70 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDKMT2AHIF1A
SCHEMBL29740984 0.70 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDKMT2AHIF1A
SCHEMBL16935293 0.70 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDKMT2AHIF1A
SCHEMBL23782955 0.68 PDE9A (0.61) ALDH1A1KDM4EHPGDKMT2AHIF1A
SCHEMBL28922159 0.68 KDM4E (0.46) ALDH1A1KDM4EHPGDKMT2AHIF1A
SCHEMBL16935353 0.68 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDKMT2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10059671-B2 Positive allosteric modulators of mGluR3 PREXTON THERAPEUTICS SA (CH) 2018-08-28 US disclosed
US-20150361046-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 MERCK PATENT GMBH (DE) 2015-12-17 US disclosed
US-20150361046-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 MERCK PATENT GMBH (DE) 2015-12-17 US disclosed
US-20150361046-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 MERCK PATENT GMBH (DE) 2015-12-17 US disclosed
EP-2951157-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 Merck Patent GmbH (DE) 2015-12-09 EP disclosed
WO-2014117919-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 MERCK PATENT GMBH (DE) 2014-08-07 WO disclosed
WO-2014117919-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 MERCK PATENT GMBH (DE) 2014-08-07 WO 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-20150361046-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 GRM3, GRM1, GRM4 ALDH1A1 4723/4885KDM4E 1126/4885HPGD 3834/4885
US-10059671-B2 Positive allosteric modulators of mGluR3 GRM3, GRM1, GRM4 ALDH1A1 4723/4885KDM4E 1126/4885HPGD 3834/4885

“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.