Hexobendine

Hexobendine

SCHEMBL317378

COc1cc(C(=O)OCCCN(C)CCN(C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.Cl.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 Hexobendine. 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
SCN1A known ✓ P35498 2/20 0.97
SCN2A known ✓ Q99250 2/20 0.97
SCN3A known ✓ Q9NY46 2/20 0.97
CHRM3 known ✓ P20309 1/20 0.56
HTR2A known ✓ P28223 1/20 0.56
SLC6A4 known ✓ P31645 1/20 0.56
HTR2B known ✓ P41595 1/20 0.56
SLC6A3 known ✓ Q01959 1/20 0.56
KCNH2 known ✓ Q12809 1/20 0.56
GHSR known ✓ Q92847 1/20 0.56
HRH3 known ✓ Q9Y5N1 1/20 0.56
ABCB1 P08183 10/20 0.68
ABCG2 Q9UNQ0 10/20 0.68
ABCC1 P33527 9/20 0.68
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
PMP22 Q01453 2/20 0.67
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 2/20 0.64
THPO P40225 2/20 0.64

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
Hexobendine SCHEMBL10402178 1.00 SCN1A (0.97) SCN1ASCN2ASCN3AABCB1ABCG2
Hexobendine SCHEMBL2459088 1.00 SCN1A (0.97) SCN1ASCN2ASCN3AABCB1ABCG2
Hexobendine SCHEMBL125629 0.99 SCN1A (1.00) SCN1ASCN2ASCN3AABCB1ABCG2
SCHEMBL2459622 0.89 SCN1A (0.82) SCN1ASCN2ASCN3AABCB1ABCG2
SCHEMBL2459994 0.86 ABCB1 (0.92) SCN1ASCN2ASCN3AABCB1ABCG2
SCHEMBL2459996 0.86 ABCB1 (0.92) SCN1ASCN2ASCN3AABCB1ABCG2
SCHEMBL25981898 0.85 SCN1A (0.74) SCN1ASCN2ASCN3AABCB1ABCG2
Hydrochloric Acid SCHEMBL7883012 0.85 MEN1 (0.77) SCN1ASCN2ASCN3AABCB1ABCG2
Dilazep SCHEMBL11130839 0.82 SLC29A1 (0.77) SCN1ASCN2ASCN3AABCB1ABCG2
SCHEMBL11219537 0.81 SCN1A (0.69) SCN1ASCN2ASCN3AABCB1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250109145-A1 ORGANIC ELECTROLUMINESCENT DEVICE, AND COMPOUND FOR THE SAME HODOGAYA CHEMICAL CO., LTD. (JP) 2025-04-03 US claimed
EP-4389753-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND COMPOUND FOR SAME Hodogaya Chemical Co., Ltd. (JP) 2024-06-26 EP claimed
CN-114894846-B CFRP current-assisted riveting joint connection performance analysis method 南京航空航天大学 2024-04-12 CN claimed
US-20230257524-A1 HIGH MELT TEMPERATURE SOLUBLE SEMI-CRYSTALLINE POLYAMIDES SOLVAY SPECIALTY POLYMERS USA, LLC (US) 2023-08-17 US claimed
EP-4172238-A1 HIGH MELT TEMPERATURE SOLUBLE SEMI-CRYSTALLINE POLYAMIDES Solvay Specialty Polymers USA, LLC. (US) 2023-05-03 EP claimed
CN-115856561-A Fault diagnosis method and system for rotating rectifier of electric excitation generator 南京师范大学 2023-03-28 CN claimed
CN-115087687-A Polyamide powder and corresponding production method 阿科玛法国公司 2022-09-20 CN claimed
CN-114894846-A CFRP current-assisted riveting joint connection performance analysis method 南京航空航天大学 2022-08-12 CN claimed
WO-2025061749-A1 FLAME-RETARDANT ADHESIVE COMPOSITION TESA SE (DE) 2025-03-27 WO disclosed
US-12227635-B2 Stabilizer compositions and methods for using same for protecting polymeric organic materials from UV light and thermal degradation CYTEC INDUSTRIES INC. (US) 2025-02-18 US disclosed
US-20250026739-A1 COMPOUNDS AND RADIOLIGANDS FOR TARGETING NEUROTENSIN RECEPTOR AND USES THEREOF FULL-LIFE TECHNOLOGIES HK LIMITED (CN) 2025-01-23 US disclosed
EP-4479040-A1 COMPOUNDS AND RADIOLIGANDS FOR TARGETING NEUROTENSIN RECEPTOR AND USES THEREOF Full-Life Technologies HK Limited (HK) 2024-12-25 EP disclosed
US-12145926-B2 Compounds and radioligands for targeting neurotensin receptor and uses thereof FULL-LIFE TECHNOLOGIES HK LIMITED (CN) 2024-11-19 US disclosed
US-20240287046-A1 COMPOUNDS AND RADIOLIGANDS FOR TARGETING NEUROTENSIN RECEPTOR AND USES THEREOF FULL-LIFE TECHNOLOGIES HK LIMITED (CN) 2024-08-29 US disclosed
US-20140128399-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP DUKE UNIVERSITY (US) 2014-05-08 US disclosed
US-8092819-B2 Implantable medical device coated with a bioactive agent Cook Medical Technologies LLC. (US) 2012-01-10 US disclosed
US-20110171195-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP DUKE UNIVERSITY (US) 2011-07-14 US disclosed
WO-2008157205-A2 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP DUKE UNIVERSITY (US) 2008-12-24 WO disclosed
US-20070207184-A1 Implantable medical device coated with a bioactive agent MED INSTITUTE, INC (US) 2007-09-06 US disclosed
US-4902516-A WITH COATING OF POLY-3-HYDROXYBUTYROLACTONE; DRUG DELIVERY CHEMIE HOLDING AKTIENGESELLSCHAFT (AT) 1990-02-20 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 (6 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-20250026739-A1 COMPOUNDS AND RADIOLIGANDS FOR TARGETING NEUROTENSIN RECEPTOR AND USES THEREOF NTSR1, NTSR2, NPSR1 SCN1A 1246/4885SCN2A 1298/4885SCN3A 802/4885
US-20240287046-A1 COMPOUNDS AND RADIOLIGANDS FOR TARGETING NEUROTENSIN RECEPTOR AND USES THEREOF NTSR1, NTSR2, NPSR1 SCN1A 1210/4885SCN2A 1394/4885SCN3A 799/4885
US-20110171195-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP PDE7A, PDE8A, PDE8B SCN1A 4840/4885SCN2A 4841/4885SCN3A 4621/4885
US-12145926-B2 Compounds and radioligands for targeting neurotensin receptor and uses thereof NTSR1, NTSR2, NPSR1 SCN1A 1210/4885SCN2A 1394/4885SCN3A 799/4885
US-20250109145-A1 ORGANIC ELECTROLUMINESCENT DEVICE, AND COMPOUND FOR THE SAME TYR, AZI2, AOC1 SCN1A 4073/4885SCN2A 4086/4885SCN3A 3863/4885
US-20140128399-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP PDE7A, PDE8A, PDE8B SCN1A 4840/4885SCN2A 4841/4885SCN3A 4621/4885

“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.