Hydrochloric Acid

Hydrochloric Acid

SCHEMBL900773

Cc1nc2c(O)cccn2c(=O)c1CCCl.Cl

nearest known ligand 0.52

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
ADRA2A known ✓ P08913 3/20 0.52
ADRA2B known ✓ P18089 3/20 0.52
ADRA2C known ✓ P18825 3/20 0.52
ADRA1A known ✓ P35348 3/20 0.52
HTR1A known ✓ P08908 2/20 0.52
DRD2 known ✓ P14416 1/20 0.52
HTR2A known ✓ P28223 1/20 0.52
GAA known ✓ P10253 2/20 0.51
GLA known ✓ P06280 1/20 0.51
CASR known ✓ P41180 1/20 0.36
HTR2C known ✓ P28335 1/20 0.36
ACHE known ✓ P22303 1/20 0.35
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.51
MPI P34949 1/20 0.51
MAPT P10636 4/20 0.40
ENPP2 Q13822 1/20 0.39
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL900644 0.99 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1AHTR1A
Hydrochloric Acid SCHEMBL3422321 0.89 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL7886328 0.88 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL900661 0.88 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL2899691 0.86 MAPT (0.55) ADRA2AADRA2BADRA2CADRA1AHTR1A
Hydrochloric Acid SCHEMBL11357932 0.86 KDM4E (0.54) ADRA2AADRA2BADRA2CADRA1AHTR1A
Bromide SCHEMBL7147879 0.85 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL5108689 0.85 KDM4E (0.51) ADRA2AADRA2BADRA2CADRA1AKDM4E
SCHEMBL2902371 0.85 KDM4E (0.51) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL28430176 0.83 ENPP2 (0.43) ADRA2AADRA2BADRA2CADRA1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475663-A2 PALIPERIDONE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUBSTANTIALLY FREE OF IMPURITIES Actavis Group Ptc Ehf (IS) 2012-07-18 EP claimed
US-20120164188-A1 PALIPERIDONE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUBSTANTIALLY FREE OF IMPURITIES ACTAVIS GROUP PTC EHF (IS) 2012-06-28 US claimed
WO-2012042368-A1 PROCESS FOR PREPARATION OF PALIPERIDONE AUROBINDO PHARMA LIMITED (IN) 2012-04-05 WO claimed
US-20110293889-A1 NOVEL AND IMPROVED PROCESSES FOR THE PREPARATION OF PALIPERIDONE MSN LABORATORIES LIMITED (IN) 2011-12-01 US claimed
WO-2011073997-A2 PROCESS FOR PREPARING PALIPERIDONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CADILA HEALTHCARE LIMITED (IN) 2011-06-23 WO claimed
EP-2300467-A2 NOVEL AND IMPROVED PROCESSES FOR THE PREPARATION OF PALIPERIDONE MSN Laboratories Limited (IN) 2011-03-30 EP claimed
WO-2011030224-A2 PALIPERIDONE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUBSTANTIALLY FREE OF IMPURITIES ACTAVIS GROUP PTC EHF (IS) 2011-03-17 WO claimed
WO-2010004578-A2 NOVEL AND IMPROVED PROCESSES FOR THE PREPARATION OF PALIPERIDONE MSN LABORATORIES LIMITED (IN) 2010-01-14 WO claimed
CN-114616229-B Tricyclic compounds and pharmaceutical uses thereof 镇斗生物科技股份公司 2024-09-03 CN disclosed
US-20230002349-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF JD BIOSCIENCE INC. (KR) 2023-01-05 US disclosed
EP-4053116-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF JD Bioscience Inc. (KR) 2022-09-07 EP disclosed
EP-2303877-B1 PROCESS TO PREPARE PALIPERIDONE AND INTERMEDIATES THEREOF INKE SA (ES) 2017-02-15 EP disclosed
US-8481729-B2 Processes for the preparation of paliperidone MSN LABORATORIES LIMITED (IN) 2013-07-09 US disclosed
US-8309717-B2 Process to prepare paliperidone and intermediates thereof INKE, S.A. (ES) 2012-11-13 US disclosed
EP-2300467-A2 NOVEL AND IMPROVED PROCESSES FOR THE PREPARATION OF PALIPERIDONE MSN Laboratories Limited (IN) 2011-03-30 EP disclosed
WO-2011030224-A2 PALIPERIDONE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUBSTANTIALLY FREE OF IMPURITIES ACTAVIS GROUP PTC EHF (IS) 2011-03-17 WO disclosed
WO-2010064134-A2 PROCESS OF SYNTHESIS OF PALIPERIDONE CADILA PHARMACEUTICALS LTD. (IN) 2010-06-10 WO disclosed
WO-2010004578-A2 NOVEL AND IMPROVED PROCESSES FOR THE PREPARATION OF PALIPERIDONE MSN LABORATORIES LIMITED (IN) 2010-01-14 WO disclosed
US-20100004447-A1 PROCESS FOR PREPARATION OF 9-HYDROXY-3-(2-CHLOROETHYL)-2-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE HYDROCHLORIDE ACTAVIS GROUP PTC EHF (IS) 2010-01-07 US disclosed
WO-2009144288-A1 PROCESS TO PREPARE PALIPERIDONE AND INTERMEDIATES THEREOF INKE, S.A. (ES) 2009-12-03 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 (4 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-20230002349-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TPH1, SLC6A4, TPH2 ADRA2A 419/4885ADRA2B 316/4885ADRA2C 100/4885
US-20100004447-A1 PROCESS FOR PREPARATION OF 9-HYDROXY-3-(2-CHLOROETHYL)-2-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE HYDROCHLORIDE PAH, DPYD, TPMT ADRA2A 340/4885ADRA2B 548/4885ADRA2C 435/4885
US-20110293889-A1 NOVEL AND IMPROVED PROCESSES FOR THE PREPARATION OF PALIPERIDONE AVPR2, AVPR1B, AVPR1A ADRA2A 503/4885ADRA2B 408/4885ADRA2C 870/4885
US-20120164188-A1 PALIPERIDONE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUBSTANTIALLY FREE OF IMPURITIES REN, DHPS, AVPR2 ADRA2A 359/4885ADRA2B 600/4885ADRA2C 433/4885

“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.