Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6844232

CNC1CCc2c(ccc(OC)c2OC)C1.Cl

nearest known ligand 0.65

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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 17)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 9/20 0.65
DRD3 known ✓ P35462 6/20 0.65
DRD4 known ✓ P21917 3/20 0.65
CA2 known ✓ P00918 2/20 0.43
ACHE known ✓ P22303 2/20 0.43
DRD1 known ✓ P21728 4/20 0.42
SIGMAR1 known ✓ Q99720 2/20 0.42
ADRA1A known ✓ P35348 1/20 0.40
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
CA1 P00915 2/20 0.43
F3 P13726 3/20 0.42
CYP3A4 P08684 1/20 0.42
DRD5 P21918 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL7336826 0.98 DRD2 (0.67) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL2955073 0.87 DRD2 (0.51) DRD2DRD3DRD4MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL11523807 0.85 DRD2 (0.52) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL8339560 0.84 DRD2 (0.51) DRD2DRD3DRD4LMNATSHR
Hydrochloric Acid SCHEMBL7331896 0.82 DRD2 (0.69) DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL7331890 0.82 DRD2 (0.69) DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL7271841 0.82 DRD2 (0.59) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL2949669 0.81 DRD2 (0.49) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL8767680 0.81 DRD2 (0.70) DRD2DRD3DRD4
SCHEMBL8767685 0.81 DRD2 (0.70) DRD2DRD3DRD4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102652-A1 Optically active2-aminotetralin derivatives, the processes for the preparation thereof and the therapeutical use of pharmaceutical compositions containing them CHIESI FARMACEUTICI S.P.A. (IT) 2004-05-27 US disclosed
CN-1137085-C Process for preparation of 5,6-dihydroxyl-2-amino-1,2,3,4-tetrahydronaphthalene derivatives ������˹ҩƷ��˾ 2004-02-04 CN disclosed
EP-1280759-A1 OPTICALLY ACTIVE 2-AMINOTETRALIN DERIVATIVES, THE PROCESSES FOR THE PREPARATION THEREOF AND THE THERAPEUTICAL USE OF PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHIESI FARMACEUTICI S.p.A. (IT) 2003-02-05 EP disclosed
WO-2001085668-A1 OPTICALLY ACTIVE 2-AMINOTETRALIN DERIVATIVES, THE PROCESSES FOR THE PREPARATION THEREOF AND THE THERAPEUTICAL USE OF PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHIESI FARMACEUTICI S.P.A. (IT) 2001-11-15 WO disclosed
CN-1278528-A Process for preparation of 5,6-dihydroxyl-2-amino-1,2,3,4-tetrahydronaphthalene derivatives CHIESI PHARMACEUTICAL S P A (IT) 2001-01-03 CN disclosed
CN-1278526-A Process for preparation of 5,6-dihydroxyl-2-amino-1,2,3,4-tetrahydronaphthalene derivatives CHIESI PHARMACEUTICAL S P A (IT) 2001-01-03 CN disclosed
CN-1278527-A Process for preparation of 5,6-dihydrxyl-2-amino-1,2,3,4-tetrahydronaphthalene derivatives CHIESI PHARMACEUTICAL S P A (IT) 2001-01-03 CN disclosed
EP-0788472-B1 A PROCESS FOR THE PREPARATION OF 5,6-DIHYDROXY-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES CHIESI FARMA SPA (IT) 2000-08-02 EP disclosed
US-6034277-A Process for the preparation of 5,6-dihydroxy-2-amino-1,2,3,4-tetrahydronaphthalene derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2000-03-07 US disclosed
US-5936125-A Process for the preparation of 5,6-dihydroxy-2-amino-1,2,3,4-tetrahydronaphthalene derivatives CHIESI FARMACEUTICI S.P.A. (IT) 1999-08-10 US disclosed
US-5710336-A Process for the preparation of 5-6-dihydroxy-2-amino-1, 2, 3, 4-tetrahydronaphthalene derivatives CHIESI FARMACEUTICI S.P.A. (IT) 1998-01-20 US disclosed
US-4584293-A LOWER HEART RATE AND OXYGEN REQUIREMENT DR. KARL THOMAE GMBH (DE) 1986-04-22 US disclosed
EP-0161604-A2 Aminotetralin derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1985-11-21 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 (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-20040102652-A1 Optically active2-aminotetralin derivatives, the processes for the preparation thereof and the therapeutical use of pharmaceutical compositions containing them AADAT, AASDHPPT, AAAS DRD2 594/4885DRD3 1242/4885DRD4 857/4885

“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.