SCHEMBL169805

SCHEMBL169805

CCCc1cccc(N(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
CNR1 P21554 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
NOS1 P29475 2/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
APP P05067 1/20 0.40
CNR2 P34972 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL10356301 0.88 LPL (0.46) ALDH1A1TSHRCNR1HDAC1HDAC6
SCHEMBL129446 0.83 SIGMAR1 (0.51) ALDH1A1TSHRHDAC1HDAC6KMT2A
SCHEMBL30966769 0.83 SIGMAR1 (0.51) ALDH1A1TSHRHDAC1HDAC6KMT2A
SCHEMBL834162 0.82 ALDH1A1 (0.50) ALDH1A1TSHRCNR1HDAC1HDAC6
SCHEMBL6827042 0.82 TAAR1 (0.57) ALDH1A1TSHRCNR1NOS1DRD2
SCHEMBL31318817 0.82 TAAR1 (0.57) ALDH1A1TSHRCNR1NOS1DRD2
SCHEMBL6750529 0.82 CALM1 (0.53) ALDH1A1TSHRCNR1HDAC1HDAC6
SCHEMBL6011706 0.82 ALDH1A1 (0.45) ALDH1A1TSHRCNR1HDAC1HDAC6
SCHEMBL6011704 0.82 ALDH1A1 (0.45) ALDH1A1TSHRCNR1HDAC1HDAC6
SCHEMBL19670694 0.82 DRD3 (0.44) ALDH1A1TSHRL3MBTL1DRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023235548-A1 SQUARAMIDE DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE (US) 2023-12-07 WO disclosed
CN-111100457-A Resin composition 味之素株式会社 2020-05-05 CN disclosed
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-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-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
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 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
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
US-5250420-A Using an electron carrier TOYO BOSEKI KABUSHIKI KAISHA (JP) 1993-10-05 US disclosed
EP-0285998-B1 METHOD AND REAGENT FOR DETERMINATION OF DEHYDROGENASE OR ITS SUBSTRATE TOYO BOSEKI KABUSHIKI KAISHA (JP) 1993-08-04 EP disclosed
EP-0285998-A2 Method and reagent for determination of dehydrogenase or its substrate TOYO BOSEKI KABUSHIKI KAISHA (JP) 1988-10-12 EP disclosed
US-4251629-A COLORIMETRY, USING 4-AMINOANTIPYRENE, N-SUBSTITUTED ANILINE, ACTIVATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1981-02-17 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 (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 ALDH1A1 2839/4885TSHR 468/4885CNR1 29/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 ALDH1A1 2815/4885TSHR 468/4885CNR1 29/4885

“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.