SCHEMBL101096

SCHEMBL101096

[CH]1NCCC2=C1Cc1ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAOA P21397 1/20 0.36
PDPK1 O15530 1/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
TDP2 O95551 1/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 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
SCHEMBL10732377 0.72 HTR2C (0.56) CHRM2HTR1AADRA2ACHRM1DRD1
Hydrochloric Acid SCHEMBL10727720 0.71 HTR2C (0.54) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL816448 0.68 CHRM2 (0.39) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL22362502 0.68 CHRM2 (0.39) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL3284155 0.67 MAOA (0.55) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL23031137 0.67 CHRM2 (0.38) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL7381504 0.67 PNMT (0.48) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL16099831 0.66 CHRM2 (0.37) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL101097 0.66 CHRM2 (0.37) CHRM2HTR1AADRA2ACHRM1DRD1
Fluorene SCHEMBL29198901 0.65 MAOA (0.65) CHRM2HTR1AADRA2ACHRM1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426125-B1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors JANSSEN PHARMACEUTICALS INC (US) 2015-12-02 EP claimed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US claimed
EP-1994004-A2 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2008-11-26 EP claimed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 WO claimed
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
EP-2426125-B1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors JANSSEN PHARMACEUTICALS INC (US) 2015-12-02 EP disclosed
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors JANSSEN PHARMACEUTICALS INC (US) 2014-10-23 US disclosed
US-8841323-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2014-09-23 US disclosed
EP-2426125-A1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
EP-1994004-A2 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2008-11-26 EP disclosed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 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-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors GRM2, GRM1, GRM3 CHRM2 99/4885HTR1A 43/4885ADRA2A 252/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 CHRM2 98/4885HTR1A 42/4885ADRA2A 245/4885

“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.