Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 14/20 | 1.00 |
| ▸ | KCNH2 known ✓ | Q12809 | 5/20 | 0.49 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 2/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 2/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 2/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 2/20 | 1.00 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29949299 | 0.99 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9978379 | 0.99 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9978393 | 0.95 | SIGMAR1 (0.93) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Fumaric Acid SCHEMBL18585977 | 0.94 | SIGMAR1 (0.89) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Maleic Acid SCHEMBL20486350 | 0.94 | SIGMAR1 (0.89) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Maleic Acid SCHEMBL20486348 | 0.94 | SIGMAR1 (0.89) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL18585960 | 0.90 | SIGMAR1 (0.82) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Bromide SCHEMBL18585978 | 0.88 | SIGMAR1 (0.80) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Oxalic Acid SCHEMBL20486387 | 0.86 | SIGMAR1 (0.77) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Oxalic Acid SCHEMBL18586049 | 0.86 | SIGMAR1 (0.77) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018109082-A1 | PROCESS AND INTERMEDIATE FOR THE PREPARATION OF 1-(4-(2-((1-(3,4- DIFLUOROPHENYL)-1H-PYRAZOL-3-YL)METHOXY)ETHYL)PIPERAZIN-1-YL)ETHANONE | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2018-06-21 | — | — | WO | claimed |
| EP-3336085-A1 | PROCESS AND INTERMEDIATE FOR THE PREPARATION OF 1-(4-(2-((1-(3,4-DIFLUOROPHENYL)-1H-PYRAZOL-3-YL)METHOXY)ETHYL)PIPERAZIN-1-YL)ETHANONE | Laboratorios del Dr. Esteve S.A. (ES) | 2018-06-20 | — | — | EP | claimed |
| EP-3233078-A1 | USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2017-10-25 | — | — | EP | claimed |
| US-20170273948-A1 | USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2017-09-28 | — | — | US | claimed |
| WO-2016096125-A1 | USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2016-06-23 | — | — | WO | claimed |
| EP-3344620-B1 | 1-(4-(2-((1-(3,4-DIFLUOROPHENYL)-1H-PYRAZOL-3-YL)METHOXY)ETHYL) PIPERAZIN-1-YL)ETHANONE SALTS | ESTEVE PHARMACEUTICALS SA (ES) | 2022-10-26 | — | — | EP | disclosed |
| US-10640468-B2 | 1-(4-(2-((1-(3,4-difluorophenyl)-1H-pyrazol-3-Yl)methoxy)ethyl)piperazin-1- Yl)ethanone salts | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-05-05 | — | — | US | disclosed |
| US-20180251430-A1 | 1-(4-(2-((1-(3,4-DIFLUOROPHENYL)-1H-PYRAZOL-3-YL)METHOXY)ETHYL)PIPERAZIN-1-YL)ETHANONE SALTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2018-09-06 | — | — | US | disclosed |
| EP-3344620-A1 | 1-(4-(2-((1-(3,4-DIFLUOROPHENYL)-1H-PYRAZOL-3-YL)METHOXY)ETHYL) PIPERAZIN-1-YL)ETHANONE SALTS | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2018-07-11 | — | — | EP | disclosed |
| WO-2018109082-A1 | PROCESS AND INTERMEDIATE FOR THE PREPARATION OF 1-(4-(2-((1-(3,4- DIFLUOROPHENYL)-1H-PYRAZOL-3-YL)METHOXY)ETHYL)PIPERAZIN-1-YL)ETHANONE | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2018-06-21 | — | — | WO | disclosed |
| EP-3336085-A1 | PROCESS AND INTERMEDIATE FOR THE PREPARATION OF 1-(4-(2-((1-(3,4-DIFLUOROPHENYL)-1H-PYRAZOL-3-YL)METHOXY)ETHYL)PIPERAZIN-1-YL)ETHANONE | Laboratorios del Dr. Esteve S.A. (ES) | 2018-06-20 | — | — | EP | disclosed |
| EP-3233078-A1 | USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2017-10-25 | — | — | EP | disclosed |
| US-20170273948-A1 | USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2017-09-28 | — | — | US | disclosed |
| WO-2017037166-A1 | 1-(4-(2-((1-(3,4-DIFLUOROPHENYL)-1H-PYRAZOL-3-YL)METHOXY)ETHYL) PIPERAZIN-1-YL)ETHANONE SALTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-03-09 | — | — | WO | disclosed |
| WO-2016096125-A1 | USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2016-06-23 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10640468-B2 | 1-(4-(2-((1-(3,4-difluorophenyl)-1H-pyrazol-3-Yl)methoxy)ethyl)piperazin-1- Yl)ethanone salts | SIGMAR1, OPRK1, TMEM97 | SIGMAR1 1/4885KCNH2 948/4885DRD3 229/4885 |
| US-20170273948-A1 | USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS | SIGMAR1, OPRL1, OPRK1 | SIGMAR1 1/4885KCNH2 2571/4885DRD3 639/4885 |
| US-20180251430-A1 | 1-(4-(2-((1-(3,4-DIFLUOROPHENYL)-1H-PYRAZOL-3-YL)METHOXY)ETHYL)PIPERAZIN-1-YL)ETHANONE SALTS | SIGMAR1, OPRK1, TMEM97 | SIGMAR1 1/4885KCNH2 1030/4885DRD3 295/4885 |
“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.