Ethylnorepinephrine

Ethylnorepinephrine

SCHEMBL75742

CCC(N)C(O)c1ccc(O)c(O)c1.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Ethylnorepinephrine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 5/20 0.55
PTGS2 known ✓ P35354 2/20 0.55
OPRK1 known ✓ P41145 1/20 0.55
SLC6A3 known ✓ Q01959 1/20 0.55
ADRA1A known ✓ P35348 2/20 0.53
PTGS1 known ✓ P23219 1/20 0.53
ADRB1 known ✓ P08588 1/20 0.50
ADRA2A known ✓ P08913 1/20 0.50
ADRB3 known ✓ P13945 1/20 0.50
DRD2 known ✓ P14416 1/20 0.50
ADRA2B known ✓ P18089 1/20 0.50
ADRA2C known ✓ P18825 1/20 0.50
DRD1 known ✓ P21728 1/20 0.50
ADRA1D known ✓ P25100 1/20 0.50
ADRA1B known ✓ P35368 1/20 0.50
GAA known ✓ P10253 1/20 0.49
KDM4E B2RXH2 9/20 1.00
TDP1 Q9NUW8 8/20 1.00
MAPK1 P28482 3/20 1.00
RECQL P46063 6/20 0.62

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
Ethylnorepinephrine SCHEMBL521301 1.00 KDM4E (1.00) KDM4ETDP1MAPK1RECQLMAPT
Ethylnorepinephrine SCHEMBL29711047 0.98 TDP1 (0.96) KDM4ETDP1MAPK1RECQLMAPT
Ethylnorepinephrine SCHEMBL249736 0.98 TDP1 (0.96) KDM4ETDP1MAPK1RECQLMAPT
Hydrochloric Acid SCHEMBL10924534 0.84 TDP1 (0.72) KDM4ETDP1MAPK1RECQLMAPT
SCHEMBL10802005 0.81 TDP1 (0.69) KDM4ETDP1MAPK1RECQLMAPT
Ethylnorepinephrine SCHEMBL3130770 0.80 KDM4E (0.64) KDM4ETDP1MAPK1RECQLMAPT
Levonordefrin SCHEMBL363800 0.79 KDM4E (1.00) KDM4ETDP1MAPK1RECQLMAPT
Nordefrin SCHEMBL5060952 0.79 KDM4E (1.00) KDM4ETDP1MAPK1RECQLMAPT
Nordefrin SCHEMBL316522 0.79 KDM4E (1.00) KDM4ETDP1MAPK1RECQLMAPT
SCHEMBL18159498 0.78 KDM4E (0.64) KDM4ETDP1MAPK1RECQLMAPT

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 1668 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345897-A1 AMORPHOUS (5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL)-ACETIC ACID Atopix Therapeutics Limited (GB) 2018-07-11 EP claimed
US-10011584-B2 Polymorphic form of [5-fluoro-3-({2-[(4-fluorobenzene) sulfonyl]pyridin-3-yl}methyl)-2-methylindol-1-yl]-acetic acid ATOPIX THERAPEUTICS LIMITED (GB) 2018-07-03 US claimed
US-9951042-B2 Polymorphic form of [5-fluoro-3-({2-[(4-fluorobenzene) sulfonyl] pyridin-3-yl}methyl)-2-methylindol-1-yl]-acetic acid ATOPIX THERAPEUTICS LIMITED (GB) 2018-04-24 US claimed
EP-2697215-B1 AMORPHOUS (5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL)-ACETIC ACID ATOPIX THERAPEUTICS LTD (GB) 2017-11-22 EP claimed
US-20170121306-A1 POLYMORPHIC FORM OF [5-FLUORO-3-(METHYL)-2-METHYLINDOL-1-YL]-ACETIC ACID SOLVIAS AG (CH) 2017-05-04 US claimed
EP-3137452-A1 POLYMORPHIC FORM OF [5-FLUORO-3-({2-[(4-FLUOROBENZENE) SULFONYL]PYRIDIN-3-YL}METHYL)-2-METHYLINDOL-1-YL]-ACETIC ACID Atopix Therapeutics Limited (GB) 2017-03-08 EP claimed
EP-3137453-A1 POLYMORPHIC FORM OF [5-FLUORO-3-({2-[(4-FLUOROBENZENE) SULFONYL]PYRIDIN-3-YL}METHYL)-2-METHYLINDOL-1-YL]-ACETIC ACID Atopix Therapeutics Limited (GB) 2017-03-08 EP claimed
US-20170057944-A1 POLYMORPHIC FORM OF [5-FLUORO-3-(METHYL)-2-METHYLINDOL-1-YL]-ACETIC ACID SOLVIAS AG (CH) 2017-03-02 US claimed
WO-2015166280-A1 POLYMORPHIC FORM OF [5-FLUORO-3-({2-[(4-FLUOROBENZENE) SULFONYL] PYRIDIN-3-YL}METHYL)-2-METHYLINDOL-1-YL]-ACETIC ACID ATOPIX THERAPEUTICS LIMITED (GB) 2015-11-05 WO claimed
WO-2015166278-A1 POLYMORPHIC FORM OF [5-FLUORO-3-({2-[(4-FLUOROBENZENE) SULFONYL]PYRIDIN-3-YL}METHYL)-2-METHYLINDOL-1-YL]-ACETIC ACID ATOPIX THERAPEUTICS LIMITED (GB) 2015-11-05 WO claimed
US-20020193612-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2002-12-19 US claimed
EP-1252157-A1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2002-10-30 EP claimed
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. 2002-08-15 US claimed
WO-2002060898-A1 THIAZOLYL-, OXAZOLYL-, PYRROLYL-, AND IMIDAZOLYL-ACID AMIDE DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO claimed
WO-2002060875-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO claimed
WO-2002060896-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO claimed
EP-1229034-A1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes Pfizer Products Inc. (US) 2002-08-07 EP claimed
WO-2002051814-A1 BENZOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2002-07-04 WO claimed
WO-2001098291-A2 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS ATHEROGENICS, INC. (US) 2001-12-27 WO claimed
WO-2001057025-A1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2001-08-09 WO 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 (5 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-10011584-B2 Polymorphic form of [5-fluoro-3-({2-[(4-fluorobenzene) sulfonyl]pyridin-3-yl}methyl)-2-methylindol-1-yl]-acetic acid CYP1B1, CYP3A5, CYP1A1 ADRB2 137/4885PTGS2 565/4885OPRK1 1073/4885
US-20170121306-A1 POLYMORPHIC FORM OF [5-FLUORO-3-(METHYL)-2-METHYLINDOL-1-YL]-ACETIC ACID UGT1A1, CYP3A5, CYP2D6 ADRB2 221/4885PTGS2 667/4885OPRK1 599/4885
US-20020193612-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, NOX1 ADRB2 37/4885PTGS2 617/4885OPRK1 1046/4885
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes NOX3, NOX1, NOX4 ADRB2 249/4885PTGS2 355/4885OPRK1 1006/4885
US-20170057944-A1 POLYMORPHIC FORM OF [5-FLUORO-3-(METHYL)-2-METHYLINDOL-1-YL]-ACETIC ACID CYP3A5, CYP1B1, CYP1A1 ADRB2 125/4885PTGS2 704/4885OPRK1 788/4885

“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.