Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Isoquinuclidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Isoquinuclidine SCHEMBL27542 | 0.97 | — | — | |
| Isoquinuclidine SCHEMBL15192831 | 0.97 | — | — | |
| Isoquinuclidine SCHEMBL23982869 | 0.97 | — | — | |
| SCHEMBL16404929 | 0.85 | — | — | |
| SCHEMBL1405204 | 0.85 | — | — | |
| SCHEMBL16384288 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL2018586 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL17181261 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL23243589 | 0.81 | — | — | |
| SCHEMBL18207788 | 0.78 | — | — |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-6199854-A | — | — | None | — | — | JP | disclosed |
| WO-2025091127-A1 | HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF | UNIVERSITE DE MONTREAL (CA) | 2025-05-08 | — | — | WO | disclosed |
| US-20240368204-A1 | SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF | XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) | 2024-11-07 | — | — | US | disclosed |
| US-20240360134-A1 | PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2024-10-31 | — | — | US | disclosed |
| CN-118791418-A | Indole compound and preparation method and application thereof | 纽欧申医药(上海)有限公司 | 2024-10-18 | — | — | CN | disclosed |
| WO-2024213032-A1 | INDOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF | 纽欧申医药(上海)有限公司 | 2024-10-17 | — | — | WO | disclosed |
| US-12110294-B2 | CD73 compounds | GILEAD SCIENCES, INC. (US) | 2024-10-08 | — | — | US | disclosed |
| EP-4376845-A1 | PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS | Actelion Pharmaceuticals Ltd (CH) | 2024-06-05 | — | — | EP | disclosed |
| EP-4353732-A1 | SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF | Xizang Haisco Pharmaceutical Co., Ltd. (CN) | 2024-04-17 | — | — | EP | disclosed |
| CN-117642411-A | Small molecule CD73 antagonists and uses thereof | 西藏海思科制药有限公司 | 2024-03-01 | — | — | CN | disclosed |
| US-6124460-A | Isoquinuclidine derivatives, method of manufacturing the same and therapeutic agents for hypercholesterolemia containing these compounds | KOTOBUKI PHARMACEUTICAL CO. LTD. (JP) | 2000-09-26 | — | — | US | disclosed |
| US-6017944-A | TREATING A VARIETY OF SEX-HORMONE RELATED AND OTHER CONDITIONS IN BOTH MEN AND WOMEN; PREVENTING PREGNANCY, TREATING LUPUS ERYTHEMATOSIS, IRRITABLE BOWEL SYNDROME, PREMENSTRUAL SYNDROME, HIRSUTISM, SLEEP DISORDERS | MERCK & CO., INC. (US) | 2000-01-25 | — | — | US | disclosed |
| EP-0654023-B1 | 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1998-09-16 | — | — | EP | disclosed |
| US-5523299-A | ADMINISTERING IN TREATMENT OF PSYCHOTIC DISORDERS | SMITHKLINE BEECHAM PLC (GB) | 1996-06-04 | — | — | US | disclosed |
| EP-0654023-A1 | 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-05-24 | — | — | EP | disclosed |
| JP-H06199854-A | NOVEL SUBSTANCE HAVING EXPECTORANT ACTIVITY, RESPIRATORY ORGAN DISEASE THERAPEUTIC AGENT AND ITS PRODUCTION | KOTOBUKI SEIYAKU KK | 1994-07-19 | — | — | JP | disclosed |
| WO-1994003426-A1 | 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-02-17 | — | — | WO | disclosed |
| US-4086234-A | Process for the preparation of tertiary amines | G. D. SEARLE & CO. (US) | 1978-04-25 | — | — | US | disclosed |
| US-4012393-A | ANTIDIARRHEA | G. D. SEARLE & CO. (US) | 1977-03-15 | — | — | US | disclosed |
| US-3996214-A | 5-(1,1-Diphenyl-4-(cyclic amino) but-2-trans-en-1-yl)-2-alkyl-1,3,4-oxadiazoles and intermediates thereto | G. D. SEARLE & CO. (US) | 1976-12-07 | — | — | US | disclosed |