Sugi Predict

Sugi Predict / Compounds / SCHEMBL2600258

SCHEMBL2600258

SCHEMBL2600258

CC(=O)NNC(=O)C1CCCN(C)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ F2R P25116 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ CYP2C19 P33261 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EIF2AK3 Q9NZJ5 1/20 0.36
▸ PARP1 P09874 1/20 0.35

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
SCHEMBL13045996 0.84 BCHE (0.43) BCHETSHRKDM4EITGB3ITGA2B
SCHEMBL26971791 0.80 BCHE (0.56) BCHETSHRKDM4EITGB3ITGA2B
SCHEMBL2600287 0.80 BCHE (0.56) BCHETSHRKDM4EITGB3ITGA2B
SCHEMBL13045997 0.79 KDM4E (0.38) BCHETSHRKDM4EALDH1A1POLB
SCHEMBL6582811 0.79 BCHE (0.41) BCHETSHRKDM4EITGB3ITGA2B
SCHEMBL2600259 0.79 BCHE (0.41) BCHETSHRKDM4EITGB3ITGA2B
SCHEMBL19550801 0.79 BCHE (0.41) BCHETSHRKDM4EITGB3ITGA2B
SCHEMBL9029829 0.78 MKNK1 (0.38) PKMALDH1A1SMN1; SMN2
SCHEMBL10049273 0.77 ALDH1A1 (0.44) BCHETSHRALDH1A1POLBLMNA
SCHEMBL14500153 0.77 ALDH1A1 (0.44) BCHETSHRALDH1A1POLBLMNA

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
US-8163775-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2012-04-24 — — US disclosed
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-01-26 — — US disclosed
US-8030331-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2011-10-04 — — US disclosed
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-05-12 — — US disclosed
US-7834035-B2 Schizophrenia and related disorders; positive allosteric modulators of mGluR5; {3-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-phenyl-methanone for example; compounds are all contain a 5-(1-carbonylpiperidin-3-yl)-1,2,4-oxadiazole moiety ADDEX PHARMA SA (CH) 2010-11-16 — — US disclosed
US-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2007-09-20 — — 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 (3 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-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM2, GRM1 BCHE 855/4885TSHR 268/4885KDM4E 2094/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 BCHE 855/4885TSHR 268/4885KDM4E 2094/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 BCHE 855/4885TSHR 268/4885KDM4E 2094/4885

“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.