Sugi Predict

Sugi Predict / Compounds / SCHEMBL2600282

SCHEMBL2600282

SCHEMBL2600282

Cc1cnn(C2CCCN(C)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 1/20 0.39
▸ MELK Q14680 2/20 0.36
▸ KAT2B Q92831 6/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ BPTF Q12830 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP2D6 P10635 2/20 0.34
▸ HRH1 P35367 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ACHE P22303 3/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ KHK P50053 1/20 0.33

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
SCHEMBL12093350 0.90 OGA (0.43) OGAMELKCYP2D6HRH1KCNH2
SCHEMBL1427768 0.86 KDM5A (0.42) MELKKAT2BHTR2BTMEM97BPTF
SCHEMBL20412794 0.83 OGA (0.38) OGACYP2D6HRH1KCNH2ALOX15
SCHEMBL17076683 0.83 KDM5A (0.43) MELKKAT2BHTR2BTMEM97BPTF
SCHEMBL531181 0.83 KDM5A (0.43) MELKKAT2BHTR2BTMEM97BPTF
SCHEMBL13465804 0.81 ACHE (0.47) OGACYP2D6HRH1KCNH2ACHE
SCHEMBL13432197 0.81 OGA (0.45) OGACYP2D6HRH1KCNH2ACHE
SCHEMBL24723107 0.80 MELK (0.36) MELKKAT2BHTR2BTMEM97BPTF
SCHEMBL2600278 0.80 OGA (0.37) OGACYP2D6HRH1KCNH2ACHE
SCHEMBL10195707 0.80 OGA (0.48) OGACYP2D6HRH1KCNH2ALOX15

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 OGA 3030/4885MELK 2137/4885KAT2B 1395/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 OGA 3030/4885MELK 2137/4885KAT2B 1395/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 OGA 3030/4885MELK 2137/4885KAT2B 1395/4885

“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.