SCHEMBL2600249

SCHEMBL2600249

Cc1nc(C2CCCNC2)no1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.40
HTR2C P28335 4/20 0.36
CHEK1 O14757 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
MAP4K4 O95819 1/20 0.36

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
Hydrochloric Acid SCHEMBL4521825 0.98 HTR2A (0.39) HTR2AHTR2CCHEK1CCNA2CDK2
SCHEMBL2286418 0.90 USP7 (0.41) HTR2AHTR2CMAP4K4
SCHEMBL12649137 0.82 CHRNB2 (0.37) MAP4K4
Hydrochloric Acid SCHEMBL1769238 0.80 CHRNB2 (0.36) MAP4K4
SCHEMBL13282089 0.80 POLB (0.43) MAP4K4
SCHEMBL15934131 0.80 POLB (0.47) MAP4K4
SCHEMBL13522013 0.80 HTR2A (0.41) HTR2ACHEK1CCNA2CDK2CCNA1
SCHEMBL13246579 0.79 USP7 (0.50) HTR2CMAP4K4
Hydrochloric Acid SCHEMBL4229174 0.79 GRM5 (0.40) CHEK1CCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL9054801 0.78 HTR2A (0.40) HTR2ACHEK1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013178591-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-12-05 WO disclosed
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-20090264425-A1 CHEMICAL COMPOUNDS PFIZER LIMITED 2009-10-22 US disclosed
US-20090264425-A1 CHEMICAL COMPOUNDS PFIZER LIMITED 2009-10-22 US disclosed
US-20090215822-A1 Substituted Oxadiazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate Receptors NIKEM RESEARCH SRL (IT) 2009-08-27 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 (5 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 HTR2A 249/4885HTR2C 345/4885CHEK1 4375/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 HTR2A 249/4885HTR2C 345/4885CHEK1 4375/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 HTR2A 249/4885HTR2C 345/4885CHEK1 4375/4885
US-20090215822-A1 Substituted Oxadiazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM3, GRM2 HTR2A 357/4885HTR2C 288/4885CHEK1 4083/4885
US-20090264425-A1 CHEMICAL COMPOUNDS POLR2E, POLR2A, POLRMT HTR2A 3747/4885HTR2C 3342/4885CHEK1 3380/4885

“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.