Melitracen

Melitracen

SCHEMBL121493

CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21.Cl

nearest known ligand 0.97

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 Melitracen. 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
HRH1 known ✓ P35367 8/20 0.97
SLC6A2 known ✓ P23975 7/20 0.97
KCNH2 known ✓ Q12809 7/20 0.97
HTR2B known ✓ P41595 6/20 0.97
CHRM2 known ✓ P08172 6/20 0.97
CHRM1 known ✓ P11229 6/20 0.97
DRD2 known ✓ P14416 6/20 0.97
SLC6A4 known ✓ P31645 6/20 0.97
ADRA1A known ✓ P35348 6/20 0.97
DRD3 known ✓ P35462 6/20 0.97
ADRA2C known ✓ P18825 5/20 0.97
CHRM3 known ✓ P20309 5/20 0.97
HTR2A known ✓ P28223 5/20 0.97
HTR2C known ✓ P28335 5/20 0.97
HTR1A known ✓ P08908 5/20 0.97
ADRA2A known ✓ P08913 5/20 0.97
ADRA2B known ✓ P18089 4/20 0.97
DRD1 known ✓ P21728 4/20 0.97
HRH3 known ✓ Q9Y5N1 3/20 0.97
ADRB1 known ✓ P08588 3/20 0.97

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
Melitracen SCHEMBL29399425 1.00 HRH1 (0.97) HRH1SLC6A2KCNH2HTR2BCHRM2
Melitracen SCHEMBL2473296 1.00 HRH1 (0.97) HRH1SLC6A2KCNH2HTR2BCHRM2
Melitracen SCHEMBL29195738 0.98 HRH1 (0.94) HRH1SLC6A2KCNH2HTR2BCHRM2
Melitracen SCHEMBL48975 0.98 HRH1 (1.00) HRH1SLC6A2KCNH2HTR2BCHRM2
Melitracen SCHEMBL29984590 0.98 HRH1 (1.00) HRH1SLC6A2KCNH2HTR2BCHRM2
Melitracen SCHEMBL1650139 0.95 HRH1 (0.94) HRH1SLC6A2KCNH2HTR2BCHRM2
Cyclobenzaprine SCHEMBL41376 0.77 LMNA (1.00) HRH1SLC6A2KCNH2HTR2BCHRM2
Cyclobenzaprine SCHEMBL4964925 0.77 LMNA (1.00) HRH1SLC6A2KCNH2HTR2BCHRM2
Cyclobenzaprine SCHEMBL29350662 0.77 LMNA (1.00) HRH1SLC6A2KCNH2HTR2BCHRM2
Amitriptyline SCHEMBL14937172 0.75 SLC6A2 (1.00) HRH1SLC6A2KCNH2HTR2BCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240307386-A1 NOVEL METHODS INTRA-CELLULAR THERAPIES, INC. 2024-09-19 US claimed
CN-112300119-B Metliquxin and flupentixol eutectic and preparation method thereof 苏州恩华生物医药科技有限公司 2024-04-16 CN claimed
US-20230381168-A1 ADJUNCTIVE THERAPY FOR DEPRESSION ANEUROTECH BV (BE) 2023-11-30 US claimed
CN-113677671-B Eutectic crystal of melitracen and flupentixol and preparation method thereof 苏州恩华生物医药科技有限公司 2023-01-17 CN claimed
CN-114685255-A Preparation method of melitracen hydrochloride intermediate 重庆圣华曦药业股份有限公司 2022-07-01 CN claimed
CN-113105335-B Synthetic method of stable deuterium-labeled melitracen hydrochloride 梯尔希(南京)药物研发有限公司 2022-03-18 CN claimed
CN-114057586-A Melletoxin hydrochloride crystal form A and preparation method thereof 江苏恩华药业股份有限公司 2022-02-18 CN claimed
CN-113677671-A Eutectic crystal of melitracen and flupentixol and preparation method thereof 苏州恩华生物医药科技有限公司 2021-11-19 CN claimed
CN-109674754-B Flupentixol and melitracen pharmaceutical composition and preparation thereof 广东赛烽医药科技有限公司 2021-10-08 CN claimed
CN-109771386-B Flupentixol melitracen tablet and preparation method thereof 广东赛烽医药科技有限公司 2021-10-08 CN claimed
US-8268352-B2 Modified release composition for highly soluble drugs TORRENT PHARMACEUTICALS LIMITED (IN) 2012-09-18 US claimed
US-8263125-B2 Dosage form for high dose-high solubility active ingredients that provides for immediate release and modified release of the active ingredients TORRENT PHARMACEUTICALS LIMITED (IN) 2012-09-11 US claimed
EP-2374450-B1 Flupentixol compositions LUNDBECK & CO AS H (DK) 2012-06-27 EP claimed
EP-2374450-A1 Flupentixol compositions H. Lundbeck A/S (DK) 2011-10-12 EP claimed
CN-101912397-A Flupentixol composition LUNDBECK & CO AS H 2010-12-15 CN claimed
EP-1273301-B1 Pharmaceutical preparations based on active ingredients susceptible to illicit administration ALTERGON SA (CH) 2006-09-06 EP claimed
US-20060024365-A1 Novel dosage form VAYA NAVIN 2006-02-02 US claimed
US-20060018933-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
US-20060018934-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
EP-1273301-A2 Pharmaceutical preparations based on active ingredients susceptible to illicit administration ALTERGON S.A. (CH) 2003-01-08 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 (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-20240307386-A1 NOVEL METHODS OPRL1, HTR2A, OPRM1 HRH1 701/4885SLC6A2 174/4885KCNH2 4441/4885
US-20230381168-A1 ADJUNCTIVE THERAPY FOR DEPRESSION HTR2A, HTR3B, HTR5A HRH1 255/4885SLC6A2 44/4885KCNH2 971/4885

“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.