Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4081730

CC1=C(C)N(Cc2ccccc2)CN1Cc1ccccc1.Cl

nearest known ligand 0.47

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
SIGMAR1 known ✓ Q99720 1/20 0.46
DDB1 known ✓ Q16531 1/20 0.42
CRBN known ✓ Q96SW2 1/20 0.42
CHRM2 known ✓ P08172 1/20 0.41
CHRM4 known ✓ P08173 1/20 0.41
CHRM5 known ✓ P08912 1/20 0.41
ACHE known ✓ P22303 1/20 0.41
GAA known ✓ P10253 1/20 0.41
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
MC4R P32245 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
THRB P10828 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
BRD4 O60885 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
SCHEMBL4084447 0.98 LMNA (0.48) LMNAPOLBSIGMAR1MC4RALDH1A1
Hydrochloric Acid SCHEMBL20263729 0.80 BRD4 (0.50) LMNAPOLBSIGMAR1ALDH1A1KMT2A
Iodide SCHEMBL2353150 0.80 SIGMAR1 (0.39) LMNAPOLBSIGMAR1MC4RALDH1A1
Bromide SCHEMBL2347284 0.77 ALDH1A1 (0.41) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL29439121 0.77 BRD4 (0.51) LMNAPOLBSIGMAR1KMT2AMEN1
SCHEMBL1041747 0.77 BRD4 (0.51) LMNAPOLBSIGMAR1KMT2AMEN1
SCHEMBL28946773 0.77 POLB (0.50) LMNAPOLBSIGMAR1MC4RALDH1A1
Hydrochloric Acid SCHEMBL11063988 0.77 ALDH1A1 (0.48) LMNAALDH1A1KMT2AMEN1THRB
Bromide SCHEMBL1046939 0.76 BRD4 (0.50) LMNAPOLBSIGMAR1KMT2AMEN1
Bromide SCHEMBL6320700 0.75 ALDH1A1 (0.49) POLBALDH1A1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1536787-A4 IMIDAZOLE ALKALOIDS FROM LEPIDIUM MEYENII AND METHODS OF USAGE PURE WORLD BOTAN INC (US) 2009-02-25 EP disclosed
CN-1684680-A Imidazole alkaloid of lepidium meyenii and application thereof PURE WORLD BOTAN INC (US) 2005-10-19 CN disclosed
US-20050171081-A1 Imidazole alkaloids from lepidium meyenii and methods of usage PURE WORLD BOTANICALS, INC. (US) 2005-08-04 US disclosed
US-20050171081-A1 Imidazole alkaloids from lepidium meyenii and methods of usage PURE WORLD BOTANICALS, INC. (US) 2005-08-04 US disclosed
EP-1536787-A2 IMIDAZOLE ALKALOIDS FROM LEPIDIUM MEYENII AND METHODS OF USAGE Pure World Botanicals, Inc. (US) 2005-06-08 EP disclosed
US-6878731-B2 Imidazole alkaloids from Lepidium meyenii and methods of usage PURE WORLD BOTANICALS, INC. (US) 2005-04-12 US disclosed
US-6878731-B2 Imidazole alkaloids from Lepidium meyenii and methods of usage PURE WORLD BOTANICALS, INC. (US) 2005-04-12 US disclosed
WO-2004016216-A3 IMIDAZOLE ALKALOIDS FROM LEPIDIUM MEYENII AND METHODS OF USAGE PURE WORLD BOTAN INC (US) 2004-04-29 WO disclosed
WO-2004016216-A2 IMIDAZOLE ALKALOIDS FROM LEPIDIUM MEYENII AND METHODS OF USAGE PURE WORLD BOTANICALS, INC. (US) 2004-02-26 WO disclosed
US-20040034079-A1 Imidazole alkaloids from lepidium meyenii and methods of usage Naturex, S.A. (FR) 2004-02-19 US disclosed
US-20040034079-A1 Imidazole alkaloids from lepidium meyenii and methods of usage Naturex, S.A. (FR) 2004-02-19 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 (2 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-20040034079-A1 Imidazole alkaloids from lepidium meyenii and methods of usage MELK, MAGI3, INMT SIGMAR1 2370/4885DDB1 2264/4885CRBN 3110/4885
US-20050171081-A1 Imidazole alkaloids from lepidium meyenii and methods of usage MELK, MAGI3, INMT SIGMAR1 2363/4885DDB1 2373/4885CRBN 3142/4885

“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.