SCHEMBL2308

SCHEMBL2308

N#CCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.52
PNMT P11086 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
PYCR1 P32322 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ENPP2 Q13822 1/20 0.41
IGF1R P08069 1/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FDPS P14324 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL29609180 1.00 IDO1 (0.52) IDO1PNMTTAAR1LMNAHPGD
SCHEMBL8189948 0.90 SIGMAR1 (0.50) IDO1PNMTTAAR1LMNAHPGD
SCHEMBL11682046 0.89 ENPP2 (0.46) IDO1PNMTTAAR1LMNAHPGD
SCHEMBL28140289 0.86 IDO1 (0.40) IDO1PNMTTAAR1LMNAHPGD
SCHEMBL24108441 0.81 TRPV4 (0.52) IDO1ENPP2
SCHEMBL4711611 0.81 CYP3A4 (0.61) IDO1PNMTTAAR1LMNAHPGD
SCHEMBL192429 0.81 MAPT (0.38) IDO1PNMTTAAR1LMNAHPGD
SCHEMBL2125469 0.81 CSNK2A1 (0.42) IDO1LMNAHPGDENPP2KDM4E
SCHEMBL1464835 0.81 TDP1 (0.45) LMNAENPP2IGF1RALOX15KDM4E
SCHEMBL15196288 0.81 CA2 (0.52) LMNAENPP2IGF1RALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108709944-B Method for simultaneously detecting 6 chlorobenzene acetonitrile serving as nitrogenous aromatic disinfection by-product in drinking water 同济大学 2021-02-12 CN claimed
CN-109613155-A A kind of detection method of armaticity nitrogenous disinfection byproducts 同济大学 2019-04-12 CN claimed
CN-109020837-A A kind of preparation method of 2- substituted-phenyl-B amidine hydrochloric acid salt 广东省石油与精细化工研究院 2018-12-18 CN claimed
US-9527813-B2 Process for the synthesis of (+) and (−)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane EUTHYMICS BIOSCIENCE, INC. (US) 2016-12-27 US claimed
US-20140163240-A1 PROCESS FOR THE SYNTHESIS OF (+) AND (-)-1-(3,4-DICHLOROPHENYL)-3-AZABICYCLO[3.1.0]HEXANE ETHISMOS RESEARCH, INC. 2014-06-12 US claimed
CN-101573034-B Method for synthesizing (+) and (-) -1- (3, 4-dichlorophenyl) -3-azabicyclo [3.1.0] hexane DOV PHARMACEUTICAL INC 2013-01-02 CN claimed
US-20120142940-A1 Process For The Synthesis Of (+) And (-)-1-(3,4-Dichlorophenyl)-3-Azabicycle[3.1.0]Hexane ETHISMOS RESEARCH, INC. 2012-06-07 US claimed
EP-2061318-B1 PROCESS FOR THE SYNTHESIS OF (+) AND (-) -1-(3,4-DICHLOROPHENYL)-3-AZABICYCLO[3.1.0]HEXANE DOV PHARMACEUTICAL INC (US) 2012-03-21 EP claimed
US-20110295020-A1 Process For The Synthesis Of (+) And (-)-1-(3,4-Dichlorophenyl)-3-Azabicyclo[3.1.0]Hexane ETHISMOS RESEARCH, INC. 2011-12-01 US claimed
US-20100298574-A1 Process For The Synthesis Of (+) And (-)-1-(3,4-Dichlorophenyl)-3-Azabicyclo[3.1.0]Hexane ETHISMOS RESEARCH, INC. 2010-11-25 US claimed
WO-2007127396-A1 PROCESS FOR THE SYNTHESIS OF (+) AND (-) -1-(3,4-DICHLOROPHENYL)-3-AZABICYCLO[3.1.0]HEXANE DOV PHARMACEUTICAL, INC. (US) 2007-11-08 WO claimed
US-6545173-B1 Chemical intermediate for sibutramine ABBOTT LABORATORIES 2003-04-08 US claimed
CN-1075057-C Process for preparing 1-aryl-1-cyanocyclobutane derivatives KNOLL AG (DE) 2001-11-21 CN claimed
EP-0863868-B1 PROCESS FOR THE PREPARATION OF 1-ARYL-1-CYANOCYCLOBUTANE DERIVATIVES KNOLL AG (DE) 2001-02-21 EP claimed
CN-1203585-A Process for preparation of 1-aryl-1-cyanocyclobutane derivatives KNOLL AG (DE) 1998-12-30 CN claimed
EP-0863868-A1 PROCESS FOR THE PREPARATION OF 1-ARYL-1-CYANOCYCLOBUTANE DERIVATIVES KNOLL AKTIENGESELLSCHAFT (DE) 1998-09-16 EP claimed
WO-1997020810-A1 PROCESS FOR THE PREPARATION OF 1-ARYL-1-CYANOCYCLOBUTANE DERIVATIVES KNOLL AKTIENGESELLSCHAFT (DE) 1997-06-12 WO claimed
EP-0612716-B1 Process for the preparation of an optically pure aminoalcohol SANOFI SA (FR) 1996-05-08 EP claimed
US-5512680-A Process for the preparation of an optically pure aminoalcohol SANOFI (FR) 1996-04-30 US claimed
EP-0612716-A1 Process for the preparation of an optically pure aminoalcohol SANOFI (FR) 1994-08-31 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20120142940-A1 Process For The Synthesis Of (+) And (-)-1-(3,4-Dichlorophenyl)-3-Azabicycle[3.1.0]Hexane ADH1C, DDT, UROD IDO1 46/4885PNMT 367/4885TAAR1 161/4885
US-20110295020-A1 Process For The Synthesis Of (+) And (-)-1-(3,4-Dichlorophenyl)-3-Azabicyclo[3.1.0]Hexane ADH1C, DDT, UROD IDO1 41/4885PNMT 311/4885TAAR1 189/4885
US-20140163240-A1 PROCESS FOR THE SYNTHESIS OF (+) AND (-)-1-(3,4-DICHLOROPHENYL)-3-AZABICYCLO[3.1.0]HEXANE ADH1C, DDT, UROD IDO1 41/4885PNMT 311/4885TAAR1 189/4885
US-20100298574-A1 Process For The Synthesis Of (+) And (-)-1-(3,4-Dichlorophenyl)-3-Azabicyclo[3.1.0]Hexane ADH1C, DDT, UROD IDO1 41/4885PNMT 311/4885TAAR1 189/4885

“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.