Fluparoxan

Fluparoxan

SCHEMBL122268

Cl.Fc1cccc2c1O[C@H]1CNC[C@@H]1O2

nearest known ligand 0.38

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

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 known ✓ P50406 5/20 0.38
CA2 known ✓ P00918 1/20 0.37
SLC6A2 known ✓ P23975 7/20 0.37
SLC6A4 known ✓ P31645 2/20 0.37
SLC6A3 known ✓ Q01959 2/20 0.37
HTR1A known ✓ P08908 5/20 0.33
CHRNA7 known ✓ P36544 1/20 0.33
ADRA1D known ✓ P25100 2/20 0.33
ADRA1A known ✓ P35348 2/20 0.33
ADRA1B known ✓ P35368 2/20 0.33
HTR2C known ✓ P28335 1/20 0.32
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.31

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
Fluparoxan SCHEMBL9482018 1.00 HTR6 (0.38) HTR6CA2SLC6A2SLC6A4CHRNB2
Fluparoxan SCHEMBL9482026 1.00 HTR6 (0.38) HTR6CA2SLC6A2SLC6A4CHRNB2
Fluparoxan SCHEMBL112164 0.98 SLC6A2 (0.38) HTR6CA2SLC6A2SLC6A4CHRNB2
Fluparoxan SCHEMBL29401005 0.98 SLC6A2 (0.38) HTR6CA2SLC6A2SLC6A4CHRNB2
Fluparoxan SCHEMBL7173629 0.98 SLC6A2 (0.38) HTR6CA2SLC6A2SLC6A4CHRNB2
Fluparoxan SCHEMBL9570339 0.98 SLC6A2 (0.38) HTR6CA2SLC6A2SLC6A4CHRNB2
Hydrochloric Acid SCHEMBL10579193 0.83 BRD4 (0.36) HTR6SLC6A2SLC6A4SLC6A3HTR2C
Hydrochloric Acid SCHEMBL10377423 0.81 CHRNB2 (0.33) SLC6A2SLC6A4CHRNB2CHRNA4SLC6A3
Hydrochloric Acid SCHEMBL10377421 0.81 CHRNB2 (0.33) SLC6A2SLC6A4CHRNB2CHRNA4SLC6A3
SCHEMBL10375117 0.81 BRD4 (0.36) HTR6SLC6A2SLC6A4CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5190967-A Sexual dysfunction GLAXO GROUP LIMITED (GB) 1993-03-02 US claimed
EP-0460912-A2 Medicaments for the treatment of sexual disorder GLAXO GROUP LIMITED (GB) 1991-12-11 EP claimed
US-5032603-A Tranquilizers GLAXO GROUP LIMITED (GB) 1991-07-16 US claimed
US-5010096-A Administering benzodioxino pyrrole compounds; adrenergic blocking agents GLAXO GROUP LIMITED (GB) 1991-04-23 US claimed
EP-0407016-A2 Use of benzodioxinopyrrole derivatives in the manufacture of a medicament for the treatment of anxiety GLAXO GROUP LIMITED (GB) 1991-01-09 EP claimed
EP-0162593-B1 HETEROCYCLIC AMINO COMPOUNDS GLAXO GROUP LIMITED (GB) 1990-08-16 EP claimed
EP-0371793-A2 Use of a benzodioxinopyrrole derivatives for the preparation of a medicament in the treatment of cerebral ischaemia GLAXO GROUP LIMITED (GB) 1990-06-06 EP claimed
US-4880801-A ALPHA 2-ADRENORECEPTOR ANTAGONIST GLAXO GROUP LIMITED (GB) 1989-11-14 US claimed
EP-0162593-A1 Heterocyclic amino compounds GLAXO GROUP LIMITED (GB) 1985-11-27 EP claimed
US-20240247313-A1 SEROTONIN TRANSPORTER GENE AND TREATMENT OF OPIOID-RELATED DISORDERS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2024-07-25 US disclosed
US-11905562-B2 Serotonin transporter gene and treatment of opioid-related disorders UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2024-02-20 US disclosed
US-20210301346-A1 SEROTONIN TRANSPORTER GENE AND TREATMENT OF OPIOID-RELATED DISORDERS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-09-30 US disclosed
US-20210290771-A1 ENGINEERED RECEPTOR/LIGAND SYSTEM FOR DELIVERY OF THERAPEUTIC AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-09-23 US disclosed
US-11000597-B2 Engineered receptor/ligand system for delivery of therapeutic agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-05-11 US disclosed
EP-0162593-B1 HETEROCYCLIC AMINO COMPOUNDS GLAXO GROUP LIMITED (GB) 1990-08-16 EP disclosed
EP-0221725-B1 PROCESS FOR PREPARING HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 1990-08-08 EP disclosed
US-4880801-A ALPHA 2-ADRENORECEPTOR ANTAGONIST GLAXO GROUP LIMITED (GB) 1989-11-14 US disclosed
US-4837336-A Process for preparing heterocyclic compounds GLAXO GROUP LIMITED (GB) 1989-06-06 US disclosed
EP-0221725-A2 Process for preparing heterocyclic compounds GLAXO GROUP LIMITED (GB) 1987-05-13 EP disclosed
EP-0162593-A1 Heterocyclic amino compounds GLAXO GROUP LIMITED (GB) 1985-11-27 EP 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 (3 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-11905562-B2 Serotonin transporter gene and treatment of opioid-related disorders SLC6A4, SLC6A3, SLC6A2 HTR6 55/4885CA2 4662/4885SLC6A2 3/4885
US-20240247313-A1 SEROTONIN TRANSPORTER GENE AND TREATMENT OF OPIOID-RELATED DISORDERS SLC6A4, SLC6A3, SLC6A2 HTR6 55/4885CA2 4662/4885SLC6A2 3/4885
US-20210301346-A1 SEROTONIN TRANSPORTER GENE AND TREATMENT OF OPIOID-RELATED DISORDERS SLC6A4, SLC6A3, SLC6A2 HTR6 55/4885CA2 4662/4885SLC6A2 3/4885

“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.