Mofegiline

Mofegiline

SCHEMBL343685

Cl.NC/C(=C/F)CCc1ccc(F)cc1

nearest known ligand 0.96

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 Mofegiline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB known ✓ P27338 7/20 0.96
MAOA known ✓ P21397 5/20 0.96
AOC2 O75106 5/20 0.96
AOC3 Q16853 2/20 0.96
DAO P14920 2/20 0.56
TAAR1 Q96RJ0 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.42
FFAR1 O14842 1/20 0.40
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
IDO1 P14902 2/20 0.37
AGXT P21549 1/20 0.37

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
Mofegiline SCHEMBL125286 1.00 MAOB (0.96) MAOBAOC2MAOAAOC3DAO
Mofegiline SCHEMBL343686 1.00 MAOB (0.96) MAOBAOC2MAOAAOC3DAO
Mofegiline SCHEMBL1295041 0.98 MAOB (1.00) MAOBAOC2MAOAAOC3DAO
Mofegiline SCHEMBL1295043 0.98 MAOB (1.00) MAOBAOC2MAOAAOC3DAO
Mofegiline SCHEMBL147813 0.98 MAOB (1.00) MAOBAOC2MAOAAOC3DAO
Mofegiline SCHEMBL14005358 0.98 MAOB (1.00) MAOBAOC2MAOAAOC3DAO
SCHEMBL1295522 0.82 MAOB (0.72) MAOBAOC2MAOAAOC3DAO
SCHEMBL1295015 0.82 MAOB (0.72) MAOBAOC2MAOAAOC3DAO
SCHEMBL1295016 0.82 MAOB (0.72) MAOBAOC2MAOAAOC3DAO
SCHEMBL1294767 0.82 MAOB (0.72) MAOBAOC2MAOAAOC3DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0642338-B1 USE OF (E)-2-(p-FLUOROPHENETHYL)-3-FLUOROALLYLAMINE IN THE TREATEMENT OF ALZHEIMER'S DISEASE MERRELL PHARMA INC (US) 1997-01-22 EP claimed
EP-0720475-A1 TRANSDERMAL DEVICE CONTAINING (E)-2-(P-FLUOROPHENETHYL)-3-FLUOROALLYLAMINE FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERRELL PHARMACEUTICALS INC. (US) 1996-07-10 EP claimed
WO-1995008325-A1 TRANSDERMAL DEVICE CONTAINING (E)-2-(P-FLUOROPHENETHYL)-3-FLUOROALLYLAMINE FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERRELL PHARMACEUTICALS INC. (US) 1995-03-30 WO claimed
EP-0642338-A1 USE OF (E)-2-(p-FLUOROPHENETHYL)-3-FLUOROALLYLAMINE IN THE TREATEMENT OF ALZHEIMER'S DISEASE. MERRELL DOW PHARMA (US) 1995-03-15 EP claimed
EP-0639972-A1 METHOD FOR PREVENTING ENDOTHELIUM DAMAGE IN MAMMALS AND FOR ALLEVIATING PAIN ASSOCIATED WITH GOUT AND ARTHRITIS UNIVERSITY OF SASKATCHEWAN (CA) 1995-03-01 EP claimed
WO-1993024120-A1 USE OF (E)-2-(p-FLUOROPHENETHYL)-3-FLUOROALLYLAMINE IN THE TREATEMENT OF ALZHEIMER'S DISEASE MERRELL DOW PHARMACEUTICALS INC. (US) 1993-12-09 WO claimed
WO-1993023023-A1 METHOD FOR PREVENTING ENDOTHELIUM DAMAGE IN MAMMALS AND FOR ALLEVIATING PAIN ASSOCIATED WITH GOUT AND ARTHRITIS UNIVERSITY OF SASKATCHEWAN (CA) 1993-11-25 WO claimed
EP-3777846-A1 VAP-1 INHIBITORS FOR TREATING PAIN BenevolentAI Cambridge Limited (GB) 2021-02-17 EP disclosed
US-20200397764-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN, LLC 2020-12-24 US disclosed
US-20180360808-A1 VAP-1 INHIBITORS FOR TREATING PAIN Benevolentai Cambridge Limited (GB) 2018-12-20 US disclosed
EP-3386494-A1 VAP-1 INHIBITORS FOR TREATING PAIN Benevolentai Cambridge Limited (GB) 2018-10-17 EP disclosed
WO-2017098236-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN LIMITED (GB) 2017-06-15 WO disclosed
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 US disclosed
US-20060039866-A1 Method for treating sleep-related breathing disorders CYPRESS BIOSCIENCE, INC. 2006-02-23 US disclosed
US-20060039867-A1 Method for treating sleep-related breathing disorders with setiptiline CYPRESS BIOSCIENCE, INC. 2006-02-23 US disclosed
US-5679854-A Process for the preparation of (epsilon)-1-amino-2-(fluoromethylene)-4-(p-fluorophenyl)butane and novel intermediate thereof HOECHST MARION ROUSSEL, INC. (US) 1997-10-21 US disclosed
EP-0784604-A1 PROCESSES FOR THE PREPARATION OF (E)-2-FLUOROMETHYLENE-4-(4-FLUOROPHENYL) BUTYLAMINE AND ALKALI METAL SALTS OF DIFORMYLAMIDE HOECHST MARION ROUSSEL, INC. (US) 1997-07-23 EP disclosed
US-5599986-A CRYSTALLIZATION YIELDS PURE FREE-FLOWING GRANULAR SOLIDS HOECHST MARION ROUSSEL INC. (US) 1997-02-04 US disclosed
WO-1996010003-A1 PROCESSES FOR THE PREPARATION OF (E)-2-FLUOROMETHYLENE-4-(4-FLUOROPHENYL) BUTYLAMINE AND ALKALI METAL SALTS OF DIFORMYLAMIDE HOECHST MARION ROUSSEL, INC. (US) 1996-04-04 WO disclosed
US-5488188-A Process for the preparation of (E)-1-amino-2-(fluoromethylene)-4-(p-fluorophenyl)butane, novel processes for preparing an intermediate thereof, and novel intermediates thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1996-01-30 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 (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-20200397764-A1 VAP-1 INHIBITORS FOR TREATING PAIN VAPB, VAPA, OPRL1 MAOB 937/4885MAOA 563/4885AOC2 59/4885
US-20180360808-A1 VAP-1 INHIBITORS FOR TREATING PAIN VAPB, VAPA, OPRL1 MAOB 937/4885MAOA 563/4885AOC2 59/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 MAOB 69/4885MAOA 83/4885AOC2 12/4885
US-20060039867-A1 Method for treating sleep-related breathing disorders with setiptiline SETD1A, SETD7, SETD2 MAOB 105/4885MAOA 53/4885AOC2 2731/4885
US-20060039866-A1 Method for treating sleep-related breathing disorders DAZAP1, ZMYND8, CHAT MAOB 361/4885MAOA 296/4885AOC2 3691/4885

“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.