Indatraline

Indatraline

SCHEMBL467134

CN[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.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 Indatraline. 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
SLC6A2 known ✓ P23975 7/20 0.97
SLC6A4 known ✓ P31645 7/20 0.97
SLC6A3 known ✓ Q01959 7/20 0.97
ESR1 known ✓ P03372 1/20 0.74
CHRM2 known ✓ P08172 1/20 0.74
CHRM4 known ✓ P08173 1/20 0.74
ADRB1 known ✓ P08588 1/20 0.74
HTR1A known ✓ P08908 1/20 0.74
CHRM5 known ✓ P08912 1/20 0.74
ADRA2A known ✓ P08913 1/20 0.74
CHRM1 known ✓ P11229 1/20 0.74
DRD2 known ✓ P14416 1/20 0.74
ADRA2B known ✓ P18089 1/20 0.74
ADRA2C known ✓ P18825 1/20 0.74
CHRM3 known ✓ P20309 1/20 0.74
HTR2A known ✓ P28223 1/20 0.74
HTR2C known ✓ P28335 1/20 0.74
AVPR2 known ✓ P30518 1/20 0.74
ADRA1A known ✓ P35348 1/20 0.74
HRH1 known ✓ P35367 1/20 0.74

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
Indatraline SCHEMBL5436564 1.00 MEN1 (1.00) MEN1KMT2AMAPTGMNNLMNA
(R,S)-Indatraline SCHEMBL29516529 1.00 MEN1 (1.00) MEN1KMT2AMAPTGMNNLMNA
Indatraline SCHEMBL11128740 0.98 SLC6A2 (1.00) MEN1KMT2AMAPTGMNNLMNA
Indatraline SCHEMBL9252635 0.98 SLC6A2 (1.00) MEN1KMT2AMAPTGMNNLMNA
(R,S)-Indatraline SCHEMBL9252640 0.98 SLC6A2 (1.00) MEN1KMT2AMAPTGMNNLMNA
Indatraline SCHEMBL29516308 0.98 SLC6A2 (1.00) MEN1KMT2AMAPTGMNNLMNA
Indatraline SCHEMBL585770 0.98 SLC6A2 (1.00) MEN1KMT2AMAPTGMNNLMNA
(R,S)-Indatraline SCHEMBL31307192 0.98 SLC6A2 (1.00) MEN1KMT2AMAPTGMNNLMNA
Hydrochloric Acid SCHEMBL11132703 0.87 MEN1 (0.78) MEN1KMT2AMAPTGMNNLMNA
Sertraline SCHEMBL4963372 0.87 MEN1 (1.00) MEN1KMT2AMAPTGMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11033572-B2 Molecular adjuvants for enhanced cytosolic delivery of active agents UNIVERSITEIT GENT (BE) 2021-06-15 US claimed
US-20190328768-A1 MOLECULAR ADJUVANTS FOR ENHANCED CYTOSOLIC DELIVERY OF ACTIVE AGENTS UNIVERSITEIT GENT (BE) 2019-10-31 US claimed
US-20170112829-A1 USE OF COMPOUNDS BINDING TO THE SIGMA RECEPTOR LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN DEVELOPING AS A CONSEQUENCE OF CHEMOTHERAPY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-04-27 US claimed
US-20110052723-A1 USE OF COMPOUNDS BINDING TO THE SIGMA RECEPTOR LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN DEVELOPING AS A CONSEQUENCE OF CHEMOTHERAPY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-03-03 US claimed
WO-2010101649-A2 SIGMA 1 RECEPTOR INHIBITION AS A NOVEL THERAPEUTICAL APPROACH AGAINST HEPATITIS C VIRUS INFECTION GASTAMINZA PABLO (US) 2010-09-10 WO claimed
EP-2090311-A1 Use of compounds binding to the sigma receptor ligands for the treatment of neuropathic pain developing as a consequence of chemotherapy Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-08-19 EP claimed
US-20090042898-A1 USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECANICAL ALLODYNIA LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-02-12 US claimed
EP-1829534-A1 Use of compounds binding to the sigma receptor for the treatment of metabolic syndrome LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP claimed
EP-1787679-A1 Use of compounds binding to the sigma receptor for the treatment of diabetes-associated pain LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-23 EP claimed
EP-1328261-A2 TREATMENT OF NEURODEGENERATIVE DISEASE Minerva Biotechnologies Corporation (US) 2003-07-23 EP claimed
US-20030060487-A1 Treatment of neurodegenerative disease MINERVA BIOTECHNOLOGIES CORPORATION 2003-03-27 US claimed
WO-2001078709-A2 TREATMENT OF NEURODEGENERATIVE DISEASE MINERVA BIOTECHNOLOGIES CORPORATION (US) 2001-10-25 WO claimed
EP-3793561-B1 METHOTREXATE COMPOUNDS FOR USE IN TREATING HIV INFECTIONS NAT CENTRE FOR CELL SCIENCE (IN) 2025-03-26 EP disclosed
US-12023336-B2 Antiviral drug compounds and composition thereof NATIONAL CENTRE FOR CELL SCIENCE (IN) 2024-07-02 US disclosed
US-20240018516-A1 Agent for Regulating Expression and/or Function of RPS25 Gene Sumitomo Pharma Co., Ltd. (JP) 2024-01-18 US disclosed
EP-3570814-B1 MOLECULAR ADJUVANTS FOR ENHANCED CYTOSOLIC DELIVERY OF ACTIVE AGENTS UNIV GENT (BE) 2023-11-29 EP disclosed
EP-1787679-A1 Use of compounds binding to the sigma receptor for the treatment of diabetes-associated pain LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-23 EP disclosed
EP-1328261-A2 TREATMENT OF NEURODEGENERATIVE DISEASE Minerva Biotechnologies Corporation (US) 2003-07-23 EP disclosed
US-20030060487-A1 Treatment of neurodegenerative disease MINERVA BIOTECHNOLOGIES CORPORATION 2003-03-27 US disclosed
WO-2001078709-A2 TREATMENT OF NEURODEGENERATIVE DISEASE MINERVA BIOTECHNOLOGIES CORPORATION (US) 2001-10-25 WO 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-20030060487-A1 Treatment of neurodegenerative disease HTT, IAPP, APP SLC6A2 632/4885SLC6A4 1004/4885SLC6A3 581/4885
US-20090042898-A1 USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECANICAL ALLODYNIA OPRM1, OPRL1, OPRK1 SLC6A2 183/4885SLC6A4 237/4885SLC6A3 277/4885
US-20240018516-A1 Agent for Regulating Expression and/or Function of RPS25 Gene RPS25, RPS26, RPS24 SLC6A2 3379/4885SLC6A4 2596/4885SLC6A3 2173/4885
US-11033572-B2 Molecular adjuvants for enhanced cytosolic delivery of active agents TLR9, PLA2G4C, STING1 SLC6A2 3583/4885SLC6A4 4106/4885SLC6A3 4482/4885
US-20190328768-A1 MOLECULAR ADJUVANTS FOR ENHANCED CYTOSOLIC DELIVERY OF ACTIVE AGENTS TLR9, PLA2G4C, STING1 SLC6A2 3583/4885SLC6A4 4106/4885SLC6A3 4482/4885

“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.