Hydrochloric Acid

Hydrochloric Acid

SCHEMBL219199

Cl.Cl.O=C(O)COCCN1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.60

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 20)

geneUniProtsupporting neighboursconfidence
HRH1 known ✓ P35367 4/20 0.60
HRH2 known ✓ P25021 2/20 0.58
HTR2A known ✓ P28223 2/20 0.58
DRD3 known ✓ P35462 2/20 0.58
HTR2B known ✓ P41595 2/20 0.58
KCNH2 known ✓ Q12809 2/20 0.58
SLC6A2 known ✓ P23975 1/20 0.58
SLC6A4 known ✓ P31645 1/20 0.58
SLC6A3 known ✓ Q01959 1/20 0.58
HTR7 known ✓ P34969 4/20 0.50
HRH3 known ✓ Q9Y5N1 1/20 0.48
BCHE known ✓ P06276 1/20 0.44
ACHE known ✓ P22303 1/20 0.44
CHRM2 known ✓ P08172 1/20 0.44
ADRA2A known ✓ P08913 1/20 0.44
DRD2 known ✓ P14416 1/20 0.44
ADRA2B known ✓ P18089 1/20 0.44
ADRA2C known ✓ P18825 1/20 0.44
DRD4 known ✓ P21917 1/20 0.44
ADRA1A known ✓ P35348 1/20 0.44

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
Hydrochloric Acid SCHEMBL5686168 1.00 HRH1 (0.60) HRH1HRH2HTR2ADRD3HTR2B
SCHEMBL219876 0.99 HRH1 (0.59) HRH1HRH2HTR2ADRD3HTR2B
Hydrochloric Acid SCHEMBL10930701 0.98 HRH1 (0.58) HRH1HRH2HTR2ADRD3HTR2B
SCHEMBL2058761 0.97 HRH1 (0.57) HRH1HRH2HTR2ADRD3HTR2B
SCHEMBL1569359 0.89 HTR7 (0.50) HRH1HRH2HTR2ADRD3HTR2B
Hydrochloric Acid SCHEMBL10930120 0.88 HTR7 (0.47) HRH1HRH2HTR2ADRD3HTR2B
Hydrochloric Acid SCHEMBL7588549 0.88 HRH1 (0.56) HRH1HRH2HTR2ADRD3HTR2B
Potassium Ion SCHEMBL2058535 0.88 HTR7 (0.49) HRH1HRH2HTR2ADRD3HTR2B
SCHEMBL2058741 0.88 HRH3 (0.49) HRH1HRH2HTR2ADRD3HTR2B
Hydrochloric Acid SCHEMBL5624913 0.88 HTR7 (0.51) HRH1HRH2HTR2ADRD3HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1734918-B1 PHARMACEUTICAL COMPOSITION FOR TREATING HAIR LOSS AND BENIGN PROSTATIC HYPERPLASIA LEE EUN-JOO (KR) 2012-08-01 EP claimed
US-20080287459-A1 Pharmaceutical Composition for Treating Hair Loss and Benign Prostatic Hyperplasia LEE EUN-JOO 2008-11-20 US claimed
US-20040132743-A1 Amorphous form of (-)-[2-[4-[(4-Chlorophenyl)-phenyl methyl]-1- piperazinyl] ethoxy] acetic acid dihydrochloride (levocetirizine dihydrochloride) DR. REDDY'S LABORATORIES LIMITED DR. REDDY'S LABORATORIES, INC. 2004-07-08 US claimed
WO-2004000823-A1 AMORPHOUS FORM OF(-)-}2-}4-}(4-CHLOROPHENYL)-PHENYL METHYL}-1-PIPERAZINYL] ETHOXY] ACETIC ACID DIHYDROCHLORIDE (LEVOCETRIRIZINE DIHYDROCHLORIDE) DR. REDDY'S LABORATORIES LIMITED (IN) 2003-12-31 WO claimed
WO-2003104212-A1 A NOVEL AMORPHOUS FORM OF [2-[4-[(4-CHLOROPHENYL)-PHENYL METHYL]-1- PIPERAZINYL] ETHOXY] ACETIC ACID DIHYDROCHLORIDE (CETIRIZINE DIHYDROCHLORIDE) DR.REDDY'S LABORATORIES LTD. (IN) 2003-12-18 WO claimed
WO-2020232353-A1 SENSORS AND METHODS USING ELECTROCHEMILUMINESCENCE OF METAL NANOCLUSTERS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-11-19 WO disclosed
EP-2297122-B1 NEW PROCESS FOR THE PREPARATION OF LEVOCETIRIZINE AND INTERMEDIATES THEREOF KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2014-05-21 EP disclosed
EP-2167479-B1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES SYMED LABS LTD (IN) 2013-09-11 EP disclosed
EP-1734918-B1 PHARMACEUTICAL COMPOSITION FOR TREATING HAIR LOSS AND BENIGN PROSTATIC HYPERPLASIA LEE EUN-JOO (KR) 2012-08-01 EP disclosed
US-8088775-B2 Pharmaceutical composition for treating hair loss KIM, SOLOMON L. 2012-01-03 US disclosed
US-8084606-B2 Process for preparation of substantially optically pure levorotatory and dextrorotatory enantiomers of cetirizine using novel intermediates SYMED LABS LIMITED (IN) 2011-12-27 US disclosed
US-20110172425-A1 NOVEL WATER BASED PROCESS FOR THE PREPARATION OF SUBSTITUTED DIPHENYLMETHYL PIPERAZINES CALYX CHEMICALS AND PHARMACEUTICALS PVT. LTD. (IN) 2011-07-14 US disclosed
US-6255487-B1 PREPARING 2-(2-(4-((4-CHLOROPHENYL)PHENYLMETHYL)-1-PIPER-AZINYL)ETHOXY)ACETIC ACID VIA REACTING SUBSTITUTED (2-((1-PIPERAZINYL)ETHOXY)METHYL COMPOUND WITH A DIPHENYLMETHYL HALIDE, THEN HYDROLYZING IN ALCOHOLIC MEDIUM WITH ACID/BASE UCB, S.A. (BE) 2001-07-03 US disclosed
WO-2001032641-A1 PROCESS FOR PREPARING PIPERAZINE-SUBSTITUTED ALIPHATIC CARBOXYLATES SALSBURY CHEMICALS, INC. (US) 2001-05-10 WO disclosed
EP-1071461-A1 METHODS AND COMPOSITIONS USING CETIRIZINE IN COMBINATION WITH LEUKOTRIENE INHIBITORS FOR TREATING CONDITIONS RESPONSIVE TO LEUKOTRIENE INHIBITION SEPRACOR, INC. (US) 2001-01-31 EP disclosed
US-6140501-A CHEMICAL INTERMEDIATES UCB, S.A. (BE) 2000-10-31 US disclosed
WO-2000052000-A1 A PROCESS FOR THE PREPARATION OF 2-{2-[4-(DIPHENYLMETHYL)-1-PIPERAZINYL]ETHOXY}ACETIC ACID COMPOUNDS OR SALTS THEREOF A/S GEA FARMACEUTISK FABRIK (DK) 2000-09-08 WO disclosed
WO-1999052553-A1 METHODS AND COMPOSITIONS USING CETIRIZINE IN COMBINATION WITH LEUKOTRIENE INHIBITORS FOR TREATING CONDITIONS RESPONSIVE TO LEUKOTRIENE INHIBITION SEPRACOR INC. (US) 1999-10-21 WO disclosed
US-5478941-A Useful in treatment of asthma, allergies, inflammation and anxiety; antihistaminic activity U C B, S.A. (BE) 1995-12-26 US disclosed
US-4525358-A ANTIHISTAMINES, ANTIALLERGENS, ANTISPASMODICS, BRONCHODILATORS UCB PHARMACEUTICALS, INC. (US) 1985-06-25 US 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040132743-A1 Amorphous form of (-)-[2-[4-[(4-Chlorophenyl)-phenyl methyl]-1- piperazinyl] ethoxy] acetic acid dihydrochloride (levocetirizine dihydrochloride) HRH4, HRH1, HRH2 HRH1 2/4885HRH2 3/4885HTR2A 121/4885
US-20080287459-A1 Pharmaceutical Composition for Treating Hair Loss and Benign Prostatic Hyperplasia SHBG, CYP17A1, NR5A1 HRH1 3049/4885HRH2 3256/4885HTR2A 1417/4885
US-20110172425-A1 NOVEL WATER BASED PROCESS FOR THE PREPARATION OF SUBSTITUTED DIPHENYLMETHYL PIPERAZINES ALK, WIZ, HACL2 HRH1 1046/4885HRH2 205/4885HTR2A 403/4885

“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.