SCHEMBL169714

SCHEMBL169714

CN(C)CCc1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.61
HTR2A P28223 2/20 0.53
HTR2B P41595 2/20 0.53
HTR2C P28335 1/20 0.53
MIF P14174 2/20 0.51
HTR7 P34969 3/20 0.50
IDO1 P14902 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ACP3 P15309 1/20 0.47
DAO P14920 1/20 0.47
HTR1A P08908 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL10682043 0.90 TAAR1 (0.57) TAAR1HTR2AHTR2BHTR2CMIF
SCHEMBL16268320 0.84 SIGMAR1 (0.52) TAAR1HTR2AHTR2BHTR2CMIF
SCHEMBL3058121 0.84 TAAR1 (0.58) TAAR1HTR7HTR1A
SCHEMBL4243270 0.81 HTR2A (0.56) TAAR1HTR2AHTR2BHTR2CMIF
SCHEMBL14492896 0.81 TACR1 (0.50) TAAR1IDO1DAO
Hydrochloric Acid SCHEMBL8390076 0.80 IDO1 (0.54) TAAR1HTR2AHTR2BHTR2CMIF
SCHEMBL30876859 0.79 TAAR1 (0.67) TAAR1HTR2AHTR2BHTR2CMIF
SCHEMBL429769 0.79 TAAR1 (0.67) TAAR1HTR2AHTR2BHTR2CMIF
SCHEMBL2859649 0.79 SCN8A (0.56) TAAR1HTR2AHTR2BHTR2CIDO1
SCHEMBL30645119 0.79 TAAR1 (0.53) TAAR1HTR2AHTR2BHTR2CMIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2023-07-20 US disclosed
EP-4212531-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery (FR) 2023-07-19 EP 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
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
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-1730126-A1 NOVEL BENZOXAZINONE DERIVATIVES USED AS LONG-ACTING BETAMIMETICS FOR TREATING RESPIRATORY ILLNESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-13 EP disclosed
WO-2005092870-A1 NOVEL BENZOXAZINONE DERIVATIVES USED AS LONG-ACTING BETAMIMETICS FOR TREATING RESPIRATORY ILLNESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 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-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors GRM2, GRM1, GRM3 TAAR1 310/4885HTR2A 36/4885HTR2B 44/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 TAAR1 309/4885HTR2A 36/4885HTR2B 44/4885
US-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK7 TAAR1 1183/4885HTR2A 1968/4885HTR2B 2102/4885

“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.