SCHEMBL686394

SCHEMBL686394

CC(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
TDO2 P48775 2/20 0.54
ADRB2 P07550 1/20 0.52
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 3/20 0.48
CHRM2 P08172 2/20 0.48
HTR1A P08908 2/20 0.48
ADRA2A P08913 2/20 0.48
CHRM1 P11229 2/20 0.48
DRD1 P21728 2/20 0.48
TBXA2R P21731 2/20 0.48
ADRA1A P35348 2/20 0.48
DRD3 P35462 2/20 0.48
KCNH2 Q12809 2/20 0.48
BCL2 P10415 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
TSHR P16473 4/20 0.48
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 2/20 0.47

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
SCHEMBL18682149 1.00 IDO1 (0.54) IDO1TDO2ADRB2SLC6A2SLC6A4
SCHEMBL15338275 1.00 IDO1 (0.54) IDO1TDO2ADRB2SLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL11329287 0.98 IDO1 (0.52) IDO1TDO2ADRB2SLC6A2SLC6A4
SCHEMBL153358 0.89 ADRB2 (0.62) IDO1TDO2ADRB2SLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL7978172 0.87 ADRB2 (0.59) IDO1TDO2ADRB2SLC6A2SLC6A4
SCHEMBL8643448 0.87 ESR1 (0.55) ADRA2ATSHRCYP2D6ESR1PDCD1
Methylamine SCHEMBL6499701 0.84 ADRB2 (0.64) IDO1TDO2ADRB2SLC6A2SLC6A4
SCHEMBL3818819 0.84 ESR1 (0.48) ADRA2ACYP2D6ESR1PDCD1ESR2
SCHEMBL169730 0.84 TAAR1 (0.50) ADRA2ATSHRCYP2D6ESR1PDCD1
SCHEMBL7499823 0.84 TAAR1 (0.50) ADRA2ATSHRCYP2D6ESR1PDCD1

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021214048-A1 DUAL INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE AND 5-LIPOXYGENASE Johann Wolfgang Goethe-Universität Frankfurt am Main (DE) 2021-10-28 WO disclosed
CN-111704548-A Method for preparing nitroolefin from aryl ethane and nitrate 郑州师范学院 2020-09-25 CN disclosed
EP-2788487-B1 OLIGONUCLEOTIDE ANALOGUES TARGETING HUMAN LMNA SAREPTA THERAPEUTICS INC (US) 2018-04-04 EP disclosed
EP-2788488-B1 METHODS FOR TREATING PROGEROID LAMINOPATHIES USING OLIGONUCLEOTIDE ANALOGUES TARGETING HUMAN LMNA SAREPTA THERAPEUTICS INC (US) 2018-03-21 EP disclosed
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 US disclosed
US-9815835-B2 Substituted polycyclic carbamolypyridone derivative SHIONOGI & CO., LTD. (JP) 2017-11-14 US disclosed
US-9790499-B2 Functionally-modified oligonucleotides and subunits thereof SAREPTA THERAPEUTICS, INC. (US) 2017-10-17 US disclosed
US-9758515-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2017-09-12 US disclosed
US-20170198287-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-07-13 US disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
WO-2008110586-A2 NEW PROCESS FOR THE PREPARATION OF LEVOCETIRIZINE AND INTERMEDIATES THEREOF KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2008-09-18 WO disclosed
WO-2008049919-A2 RHO KINASE INHIBITORS DEVGEN N.V. (BE) 2008-05-02 WO disclosed
WO-2008022938-A1 DI-AROMATIC SUBSTITUTED AMIDES AS INHIBITORS FOR GLYT1 F. HOFFMANN-LA ROCHE AG (CH) 2008-02-28 WO disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US disclosed
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 US disclosed
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 US disclosed
EP-0723525-A4 PROCESS FOR DECREASING CHLORINE CONTENT IN CHLORINATED HYDROCARBONS UNIV PRINCETON (US) 1996-09-25 EP disclosed
EP-0723525-A1 PROCESS FOR DECREASING CHLORINE CONTENT IN CHLORINATED HYDROCARBONS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1996-07-31 EP disclosed
WO-1995010484-A1 PROCESS FOR DECREASING CHLORINE CONTENT IN CHLORINATED HYDROCARBONS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1995-04-20 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-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same CNR1, CNR2, OPRD1 IDO1 1017/4885TDO2 819/4885ADRB2 89/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 IDO1 314/4885TDO2 1612/4885ADRB2 4822/4885

“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.