Gevotroline

Gevotroline

SCHEMBL293397

Cl.Cl.Fc1ccc2[nH]c3c(c2c1)CN(CCCc1cccnc1)CC3.Fc1ccc2[nH]c3c(c2c1)CN(CCCc1cccnc1)CC3

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

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 known ✓ Q99720 1/20 0.77
ACHE known ✓ P22303 1/20 0.60
APAF1 O14727 1/20 0.58

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
Gevotroline SCHEMBL120422 1.00 SIGMAR1 (0.77) SIGMAR1ACHEAPAF1
Gevotroline SCHEMBL31395347 1.00 SIGMAR1 (0.77) SIGMAR1ACHEAPAF1
Gevotroline SCHEMBL4684544 1.00 SIGMAR1 (0.77) SIGMAR1ACHEAPAF1
Gevotroline SCHEMBL30124880 0.99 SIGMAR1 (0.78) SIGMAR1ACHE
Gevotroline SCHEMBL29710901 0.99 SIGMAR1 (0.78) SIGMAR1ACHE
Gevotroline SCHEMBL293396 0.99 SIGMAR1 (0.78) SIGMAR1ACHE
SCHEMBL10375702 0.87 SIGMAR1 (1.00) SIGMAR1ACHEAPAF1
SCHEMBL10375956 0.87 SIGMAR1 (0.63) SIGMAR1ACHE
SCHEMBL10375595 0.84 SIGMAR1 (0.94) SIGMAR1APAF1
Carvotroline SCHEMBL123737 0.82 SIGMAR1 (0.86) SIGMAR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086538-B1 COMBINATION THERAPIES FOR TREATING ALZHEIMER'S DISEASE USING DIMEBON AND DONEPEZIL MEDIVATION NEUROLOGY INC (US) 2012-03-14 EP disclosed
EP-2420235-A1 Methods and combination therapies for treating alzheimer's disease Medivation Neurology, Inc. (US) 2012-02-22 EP disclosed
US-20110269777-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA USING ANTIPSYCHOTIC COMBINATION THERAPY MEDIVATION NEUROLOGY, INC. 2011-11-03 US disclosed
US-20100178277-A1 METHODS AND COMPOSITIONS FOR STIMULATING CELLS MEDIVATION NEUROLOGY, INC. (US) 2010-07-15 US disclosed
US-20100152108-A1 METHODS AND COMBINATION THERAPIES FOR TREATING ALZHEIMER'S DISEASE MEDIVATION NEUROLOGY, INC. (US) 2010-06-17 US disclosed
US-20100152225-A1 HYDROGENATED PYRIDO [4,3-B] INDOLES SUCH AS DIMEBON FOR TREATING CANINE COGNITIVE DYSFUNCTION SYNDROME MEDIVATION NEUROLOGY, INC. 2010-06-17 US disclosed
US-20100099700-A1 HYDROGENATED PYRIDO (4,3-B) INDOLES FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS (ALS) MEDIVATION NEUROLOGY, INC. 2010-04-22 US disclosed
EP-2155196-A1 METHODS AND COMPOSITIONS FOR STIMULATING CELLS Medivation Neurology, Inc. (US) 2010-02-24 EP disclosed
EP-2086538-A2 COMBINATION THERAPIES FOR TREATING ALZHEIMER'S DISEASE USING I.A. DIMEBON AND DOLEPEZIL Medivation Neurology, Inc. (US) 2009-08-12 EP disclosed
EP-2066322-A2 HYDROGENATED PYRIDO [4,3-B] INDOLES SUCH AS DIMEBON FOR TREATING CANINE COGNITIVE DYSFUNCTION SYNDROME Medivation Neurology, Inc. (US) 2009-06-10 EP disclosed
EP-1976518-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA Medivation Neurology, Inc. (US) 2008-10-08 EP disclosed
EP-1937263-A2 HYDROGENATED PYRIDO-INDOLE COMPOUNDS FOR THE TREATMENT OF HUNTINGTON ' S DISEASE MEDIVATION, INC. (US) 2008-07-02 EP disclosed
WO-2008051599-A2 COMBINATION THERAPIES FOR TREATING ALZHEIMER'S DISEASE USING I. A. DIMEBON AND DOLEPEZIL MEDIVATION NEUROLOGY, INC. (US) 2008-05-02 WO disclosed
WO-2008036400-A2 HYDROGENATED PYRIDO [4,3-B] INDOLES SUCH AS DIMEBON FOR TREATING CANINE COGNITIVE DYSFUNCTION SYNDROME MEDIVATION NEUROLOGY, INC. (US) 2008-03-27 WO disclosed
WO-2008036410-A2 METHODS AND COMPOSITIONS FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS (ALS) MEDIVATION NEUROLOGY, INC. (US) 2008-03-27 WO disclosed
US-20070225316-A1 Methods and compositions for treating schizophrenia MEDIVATION, INC. 2007-09-27 US disclosed
WO-2007087425-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA MEDIVATION NEUROLOGY,INC. (US) 2007-08-02 WO disclosed
US-20070117835-A1 Methods and compositions for treating Huntington's disease MEDIVATION NEUROLOGY, INC. 2007-05-24 US disclosed
US-20070117834-A1 Methods and compositions for treating Huntington's disease MEDIVATION NEUROLOGY, INC. 2007-05-24 US disclosed
WO-2007041697-A2 HYDROGENATED PYRIDO-INDOLE COMPOUNDS FOR THE TREATMENT OF HUNTINGTON ' S DISEASE MEDIVATION, INC. (GB) 2007-04-12 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 (8 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-20100178277-A1 METHODS AND COMPOSITIONS FOR STIMULATING CELLS BAD, NFATC1, HDGF SIGMAR1 3601/4885ACHE 1950/4885APAF1 59/4885
US-20100152108-A1 METHODS AND COMBINATION THERAPIES FOR TREATING ALZHEIMER'S DISEASE PSEN2, APP, PSEN1 SIGMAR1 3799/4885ACHE 12/4885APAF1 3741/4885
US-20070225316-A1 Methods and compositions for treating schizophrenia SLC6A3, DBH, GRIN3B SIGMAR1 1858/4885ACHE 393/4885APAF1 4745/4885
US-20070117835-A1 Methods and compositions for treating Huntington's disease HTT, HYPK, HTR6 SIGMAR1 4376/4885ACHE 171/4885APAF1 4198/4885
US-20100152225-A1 HYDROGENATED PYRIDO [4,3-B] INDOLES SUCH AS DIMEBON FOR TREATING CANINE COGNITIVE DYSFUNCTION SYNDROME HPD, KYNU, IDO1 SIGMAR1 2584/4885ACHE 1153/4885APAF1 3973/4885
US-20100099700-A1 HYDROGENATED PYRIDO (4,3-B) INDOLES FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS (ALS) HTT, NLN, SMN1; SMN2 SIGMAR1 3754/4885ACHE 164/4885APAF1 1756/4885
US-20110269777-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA USING ANTIPSYCHOTIC COMBINATION THERAPY SLC6A3, DBH, HTR3B SIGMAR1 972/4885ACHE 641/4885APAF1 4561/4885
US-20070117834-A1 Methods and compositions for treating Huntington's disease HTT, HYPK, HTR6 SIGMAR1 4376/4885ACHE 171/4885APAF1 4198/4885

“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.