Hydrochloric Acid

Hydrochloric Acid

SCHEMBL17956540

Cl.O=C(O)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1C(=O)C(F)(F)F

nearest known ligand 0.41

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 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 15)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 1/20 0.41
ACE known ✓ P12821 1/20 0.37
DPP4 known ✓ P27487 4/20 0.37
KCNH2 known ✓ Q12809 2/20 0.36
ALDH1A1 P00352 1/20 0.41
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
TSHR P16473 1/20 0.37
DPP7 Q9UHL4 4/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
AGTR2 P50052 4/20 0.35

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
SCHEMBL1248269 0.99 ALDH1A1 (0.42) ALDH1A1GAAPDK1PDK2PDK3
SCHEMBL1248268 0.99 ALDH1A1 (0.42) ALDH1A1GAAPDK1PDK2PDK3
SCHEMBL1248266 0.99 ALDH1A1 (0.42) ALDH1A1GAAPDK1PDK2PDK3
Hydrochloric Acid SCHEMBL16611804 0.90 FKBP1A (0.41) ALDH1A1GAAPDK1PDK2PDK3
Hydrochloric Acid SCHEMBL16611802 0.90 FKBP1A (0.41) ALDH1A1GAAPDK1PDK2PDK3
SCHEMBL16611571 0.89 FKBP1A (0.41) ALDH1A1GAAPDK1PDK2PDK3
SCHEMBL16611573 0.89 FKBP1A (0.41) ALDH1A1GAAPDK1PDK2PDK3
SCHEMBL3666219 0.89 AGTR2 (0.43) ALDH1A1GAAPDK1PDK2PDK3
SCHEMBL9949645 0.86 FKBP1A (0.39) ALDH1A1GAAPDK1PDK2PDK3
SCHEMBL9949649 0.86 FKBP1A (0.39) ALDH1A1GAAPDK1PDK2PDK3

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348578-A1 CRYSTALLINE FORMS OF DIAZABICYCLOOCTANE DERIVATIVE AND PRODUCTION PROCESS THEREOF MEIJI SEIKA PHARMA CO., LTD. (JP) 2022-11-03 US disclosed
EP-3299370-B1 CRYSTALLINE FORMS OF DIAZABICYCLOOCTANE DERIVATIVE AND PRODUCTION PROCESS THEREOF MEIJI SEIKA PHARMA CO LTD (JP) 2021-11-24 EP disclosed
EP-3067355-B1 CRYSTALS OF DIAZABICYCLOOCTANE DERIVATIVE AND PRODUCTION METHOD FOR CRYSTALS OF DIAZABICYCLOOCTANE DERIVATIVE MEIJI SEIKA PHARMA CO LTD (JP) 2020-12-16 EP disclosed
US-20200181143-A1 CRYSTALLINE FORMS OF DIAZABICYCLOOCTANE DERIVATIVE AND PRODUCTION PROCESS THEREOF MEIJI SEIKA PHARMA CO., LTD. (JP) 2020-06-11 US disclosed
US-10604522-B2 Processes for producing diazabicyclooctane compounds MEIJI SEIKA PHARMA CO., LTD. (JP) 2020-03-31 US disclosed
EP-3613740-A1 PREPARATION OF A DIAZABICYCLOOCTANE DERIVATIVE Meiji Seika Pharma Co., Ltd. (JP) 2020-02-26 EP disclosed
EP-3613741-A1 PREPARATION OF A DIAZABICYCLOOCTANE DERIVATIVE Meiji Seika Pharma Co., Ltd. (JP) 2020-02-26 EP disclosed
US-20190031659-A1 PROCESSES FOR PRODUCING DIAZABICYCLOOCTANE COMPOUNDS MEIJI SEIKA PHARMA CO., LTD. (JP) 2019-01-31 US disclosed
US-10000491-B2 Process for producing diazabicyclooctane derivative and intermediate thereof MEIJI SEIKA PHARMA CO., LTD. (JP) 2018-06-19 US disclosed
US-10000492-B2 Process for producing diazabicyclooctane derivative MEIJI SEIKA PHARMA CO., LTD. (JP) 2018-06-19 US disclosed
EP-3299370-A1 CRYSTALLINE FORMS OF DIAZABICYCLOOCTANE DERIVATIVE AND PRODUCTION PROCESS THEREOF Meiji Seika Pharma Co., Ltd. (JP) 2018-03-28 EP disclosed
US-20170283415-A1 PROCESS FOR PRODUCING DIAZABICYCLOOCTANE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2017-10-05 US disclosed
US-20160264573-A1 PROCESS FOR PRODUCING DIAZABICYCLOOCTANE DERIVATIVE AND INTERMEDIATE THEREOF MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-09-15 US disclosed
EP-3067355-A1 CRYSTALS OF DIAZABICYCLOOCTANE DERIVATIVE AND PRODUCTION METHOD FOR CRYSTALS OF DIAZABICYCLOOCTANE DERIVATIVE Meiji Seika Pharma Co., Ltd. (JP) 2016-09-14 EP disclosed
EP-3050883-A1 PRODUCTION METHOD FOR DIAZABICYCLOOCTANE DERIVATIVE AND INTERMEDIARY BODY THEREOF Meiji Seika Pharma Co., Ltd. (JP) 2016-08-03 EP 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-20220348578-A1 CRYSTALLINE FORMS OF DIAZABICYCLOOCTANE DERIVATIVE AND PRODUCTION PROCESS THEREOF CCNA1, RCC1, DDT GAA 2839/4885ACE 1597/4885DPP4 139/4885
US-10000492-B2 Process for producing diazabicyclooctane derivative OGFOD1, HAAO, CLCN2 GAA 3646/4885ACE 3367/4885DPP4 1887/4885
US-20170283415-A1 PROCESS FOR PRODUCING DIAZABICYCLOOCTANE DERIVATIVE OGFOD1, HAAO, CLCN2 GAA 3646/4885ACE 3367/4885DPP4 1887/4885
US-10604522-B2 Processes for producing diazabicyclooctane compounds DHCR7, C9, CYCS GAA 3095/4885ACE 2400/4885DPP4 2395/4885
US-20190031659-A1 PROCESSES FOR PRODUCING DIAZABICYCLOOCTANE COMPOUNDS DHCR7, C9, CYCS GAA 3095/4885ACE 2400/4885DPP4 2395/4885
US-20200181143-A1 CRYSTALLINE FORMS OF DIAZABICYCLOOCTANE DERIVATIVE AND PRODUCTION PROCESS THEREOF CCNA1, RCC1, DDT GAA 2839/4885ACE 1597/4885DPP4 139/4885
US-20160264573-A1 PROCESS FOR PRODUCING DIAZABICYCLOOCTANE DERIVATIVE AND INTERMEDIATE THEREOF CLCN2, ODC1, KCNN4 GAA 3868/4885ACE 4334/4885DPP4 554/4885
US-10000491-B2 Process for producing diazabicyclooctane derivative and intermediate thereof CLCN2, ODC1, KCNN4 GAA 3868/4885ACE 4334/4885DPP4 554/4885

“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.