Alnespirone

Alnespirone

SCHEMBL114479

CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1COc2cccc(OC)c2C1.Cl

nearest known ligand 0.98

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

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 2/20 0.98
DRD2 known ✓ P14416 2/20 0.98
DRD1 known ✓ P21728 2/20 0.98
HTR1B known ✓ P28222 2/20 0.98
HTR2A known ✓ P28223 2/20 0.98

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
Alnespirone SCHEMBL29349572 1.00 HTR1A (0.98) HTR1ADRD2DRD1HTR1BHTR2A
Alnespirone SCHEMBL29390957 1.00 HTR1A (0.98) HTR1ADRD2DRD1HTR1BHTR2A
Alnespirone SCHEMBL29639699 0.99 HTR1A (1.00) HTR1ADRD2DRD1HTR1BHTR2A
Alnespirone SCHEMBL13532499 0.99 HTR1A (1.00) HTR1ADRD2DRD1HTR1BHTR2A
Alnespirone SCHEMBL114478 0.99 HTR1A (1.00) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL13532497 0.98 HTR1A (0.98) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL13532501 0.93 HTR1A (0.89) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL9306008 0.90 HTR1A (0.83) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL13532502 0.89 HTR1A (0.81) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL9304956 0.89 HTR1A (0.81) HTR1ADRD2DRD1HTR1BHTR2A

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 1078 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4447949-A1 PHENYLETHYLIDENEHYDRAZINE DIMERS AND METHODS OF USING SAME Neurawell Therapeutics (US) 2024-10-23 EP claimed
EP-4335504-A2 TREATMENT OF MOVEMENT DISORDERS Contera Pharma ApS (DK) 2024-03-13 EP claimed
EP-3897641-B1 TREATMENT OF MOVEMENT DISORDERS CONTERA PHARMA AS (DK) 2023-11-15 EP claimed
WO-2023114453-A1 PHENYLETHYLIDENEHYDRAZINE DIMERS AND METHODS OF USING SAME Neurawell Therapeutics (US) 2023-06-22 WO claimed
WO-2022165382-A1 PHENYLETHYLIDENEHYDRAZINE COMBINATION THERAPIES Neurawell Therapeutics (US) 2022-08-04 WO claimed
US-20220062279-A1 TREATMENT OF MOVEMENT DISORDERS CONTERA PHARMA A/S (DK) 2022-03-03 US claimed
EP-3897641-A1 TREATMENT OF MOVEMENT DISORDERS Contera Pharma A/S (DK) 2021-10-27 EP claimed
WO-2020127954-A1 TREATMENT OF MOVEMENT DISORDERS CONTERA PHARMA APS (DK) 2020-06-25 WO claimed
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-23 US claimed
CN-108853506-A A kind of combination drug and application thereof for treating leukaemia 四川科瑞德制药股份有限公司 2018-11-23 CN claimed
CN-1418100-A Compounds with 5-HT activity for controlling visual field loss ALCON UNIVERSAL LTD (CH) 2003-05-14 CN claimed
CN-1418121-A Compound with 5-HT1A activity useful for treating disorders of outer retina ALCON UNIVERSAL LTD (CH) 2003-05-14 CN claimed
EP-1267878-A2 COMPOUNDS WITH 5-HT ACTIVITY USEFUL FOR CONTROLLING VISUAL FIELD LOSS Alcon, Inc (CH) 2003-01-02 EP claimed
EP-1263504-A2 COMPOUNDS WITH 5-HT1A ACTIVITY USEFUL FOR TREATING DISORDERS OF THE OUTER RETINA Alcon Inc. (CH) 2002-12-11 EP claimed
EP-1259292-A2 THERAPEUTIC AGENTS Knoll GmbH (DE) 2002-11-27 EP claimed
WO-2001070222-A2 COMPOUNDS WITH 5-HT1A ACTIVITY USEFUL FOR TREATING DISORDERS OF THE OUTER RETINA ALCON INC. (CH) 2001-09-27 WO claimed
WO-2001070230-A2 COMPOUNDS WITH 5-HT ACTIVITY USEFUL FOR CONTROLLING VISUAL FIELD LOSS ALCON, INC. (CH) 2001-09-27 WO claimed
WO-2001062341-A2 COMBINATION PRODUCT FOR THE TREATMENT OF OBESITY KNOLL GMBH (DE) 2001-08-30 WO claimed
EP-0969842-A1 PHARMACEUTICAL COMPOSITION R.P. Scherer Limited (GB) 2000-01-12 EP claimed
WO-1998042344-A1 PHARMACEUTICAL COMPOSITION R. P. SCHERER LIMITED (GB) 1998-10-01 WO 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 (1 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-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R HTR1A 91/4885DRD2 186/4885DRD1 163/4885

“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.