SCHEMBL171693

SCHEMBL171693

CC(=O)NCCNc1ccc(C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
TDP1 Q9NUW8 1/20 0.53
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GLA P06280 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CNR1 P21554 1/20 0.49
POLB P06746 3/20 0.47
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
CTSK P43235 2/20 0.43
CTSS P25774 1/20 0.43
FFAR1 O14842 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
SCHEMBL8535693 0.85 KDM4E (0.59) MAPTMTNR1AMTNR1BALDH1A1GLA
SCHEMBL18683876 0.83 MAPT (0.63) MAPTTDP1POLBCA12CA7
SCHEMBL10826205 0.83 MTNR1A (0.50) MAPTTDP1MTNR1AMTNR1BALDH1A1
SCHEMBL11843114 0.82 MTNR1A (0.61) MAPTTDP1MTNR1AMTNR1BALDH1A1
SCHEMBL27922916 0.81 CNR1 (0.73) TDP1ALDH1A1SMN1; SMN2CNR1POLB
SCHEMBL10126817 0.81 MAPT (0.61) MAPTTDP1MTNR1AMTNR1BPOLB
SCHEMBL2065837 0.81 MAPT (1.00) MAPTTDP1ALDH1A1POLBNPC1
SCHEMBL11249897 0.79 MTNR1A (0.50) MAPTMTNR1AMTNR1BALDH1A1GLA
SCHEMBL8145090 0.79 MTNR1A (0.50) TDP1MTNR1AMTNR1BALDH1A1GLA
SCHEMBL20964518 0.79 ALDH1A1 (0.47) MAPTMTNR1AMTNR1BALDH1A1GLA

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
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
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
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-1994004-B9 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2013-04-17 EP disclosed
EP-1994004-B1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2012-08-01 EP 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
EP-2412711-A1 INDAZOLEPROPIONIC ACID AMIDE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-01 EP disclosed
US-20120016117-A1 INDAZOLEPROPIONIC ACID AMIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-20120016117-A1 INDAZOLEPROPIONIC ACID AMIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US 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
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 (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-20120016117-A1 INDAZOLEPROPIONIC ACID AMIDE COMPOUND SCN9A, SCN1A, SCN1B MAPT 4411/4885TDP1 3326/4885MTNR1A 883/4885
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors GRM2, GRM1, GRM3 MAPT 2624/4885TDP1 2996/4885MTNR1A 204/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 MAPT 2635/4885TDP1 3010/4885MTNR1A 202/4885

“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.