Hydrochloric Acid

Hydrochloric Acid

SCHEMBL227939

Cl.O=C(c1ccccc1)C1CCNCC1

nearest known ligand 0.96

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
HTR3E known ✓ A5X5Y0 1/20 0.51
HTR3B known ✓ O95264 1/20 0.51
HTR3A known ✓ P46098 1/20 0.51
HTR3D known ✓ Q70Z44 1/20 0.51
HTR3C known ✓ Q8WXA8 1/20 0.51
GABRP known ✓ O00591 1/20 0.48
GABRD known ✓ O14764 1/20 0.48
GABRA1 known ✓ P14867 1/20 0.48
GABRB1 known ✓ P18505 1/20 0.48
GABRG2 known ✓ P18507 1/20 0.48
GABRB3 known ✓ P28472 1/20 0.48
GABRA5 known ✓ P31644 1/20 0.48
GABRA3 known ✓ P34903 1/20 0.48
GABRA2 known ✓ P47869 1/20 0.48
GABRB2 known ✓ P47870 1/20 0.48
GABRA4 known ✓ P48169 1/20 0.48
GABRE known ✓ P78334 1/20 0.48
GABRA6 known ✓ Q16445 1/20 0.48
GABRG1 known ✓ Q8N1C3 1/20 0.48
GABRG3 known ✓ Q99928 1/20 0.48

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
SCHEMBL408318 0.98 KMT2A (0.66) KMT2AMEN1CYP2D6HTR3EHTR3B
Bromide SCHEMBL10968790 0.96 KMT2A (0.64) KMT2AMEN1CYP2D6HTR3EHTR3B
Hydrochloric Acid SCHEMBL656874 0.94 KMT2A (0.62) KMT2AMEN1CYP2D6HTR3EHTR3B
Hydrochloric Acid SCHEMBL440964 0.89 KMT2A (0.56) KMT2AMEN1CYP2D6HTR3EHTR3B
SCHEMBL4674654 0.87 MEN1 (0.63) KMT2AMEN1CYP2D6HTR3EHTR3B
SCHEMBL407286 0.87 KMT2A (0.53) KMT2AMEN1CYP2D6HTR3EHTR3B
Hydrochloric Acid SCHEMBL4197268 0.87 MEN1 (0.72) KMT2AMEN1CYP2D6HTR3EHTR3B
Hydrochloric Acid SCHEMBL11617476 0.85 MEN1 (0.60) KMT2AMEN1CYP2D6MGLL
SCHEMBL13944266 0.85 MEN1 (0.69) KMT2AMEN1CYP2D6HTR3EHTR3B
SCHEMBL18428493 0.83 HTR2A (0.56) KMT2AMEN1MGLLSLC18A3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118878508-A DC-Rhoin derivative, preparation method and application thereof 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2024-11-01 CN claimed
EP-1153013-B1 5-HT1F AGONISTS LILLY CO ELI (US) 2007-10-31 EP claimed
US-6777428-B1 INHIBIT PEPTIDE EXTRAVASATION DUE TO STIMULATION OF THE TRIGEMINAL GANGLIA, AND ARE THEREFORE USEFUL FOR THE TREATMENT OF MIGRAINE AND ASSOCIATED DISORDERS ELI LILLY AND COMPANY 2004-08-17 US claimed
EP-1153013-A2 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2001-11-14 EP claimed
WO-2000047559-A2 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-08-17 WO claimed
CN-118878508-A DC-Rhoin derivative, preparation method and application thereof 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2024-11-01 CN disclosed
US-12054474-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-08-06 US disclosed
WO-2024114672-A1 6,5,7,6-TETRACYCLIC DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江我武翼方药业有限公司 2024-06-06 WO disclosed
US-20230073334-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2023-03-09 US disclosed
US-11512066-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-11-29 US disclosed
EP-2742047-B1 ANTIBACTERIAL PIPERIDINYL SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-05-12 EP disclosed
EP-3057950-B1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2020-12-02 EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
WO-1997023466-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1997-07-03 WO disclosed
US-5346907-A Cholecystokinin antagonists used in treatment or prevention of disorders of gastrointestinal, central nervous, appetite regulating or pain regulating systems ABBOTT LABORATORIES (US) 1994-09-13 US disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed
US-4151285-A ANTICONVULSANT, ANTI-ANXIETY AGENTS A. H. ROBINS COMPANY, INC. (US) 1979-04-24 US disclosed
US-4110459-A ANALGESIC AMERICAN HOECHST CORPORATION (US) 1978-08-29 US disclosed
US-4101663-A ANTIHYPERTENSIVES AMERICAN HOECHST CORPORATION (US) 1978-07-18 US disclosed
US-4046900-A TRANQUILIZERS, HYPOTENSIVES, ANALGESICS AMERICAN HOECHST CORPORATION (US) 1977-09-06 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-20230073334-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES PROKR1, GIPR, PROKR2 HTR3E 955/4885HTR3B 460/4885HTR3A 464/4885
US-12054474-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases PROKR1, GIPR, PROKR2 HTR3E 955/4885HTR3B 460/4885HTR3A 464/4885
US-11512066-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases PROKR1, GIPR, PROKR2 HTR3E 969/4885HTR3B 469/4885HTR3A 488/4885

“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.