Hydrochloric Acid

Hydrochloric Acid

SCHEMBL21493579

CN(C)CCCNCc1ccccc1.Cl.Cl

nearest known ligand 0.62

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 14)

geneUniProtsupporting neighboursconfidence
MAOA known ✓ P21397 1/20 0.62
CHRM2 known ✓ P08172 1/20 0.60
SIGMAR1 known ✓ Q99720 5/20 0.59
GAA known ✓ P10253 1/20 0.55
SCN8A known ✓ Q9UQD0 1/20 0.49
TMEM97 Q5BJF2 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPT P10636 1/20 0.55
CCR6 P51684 1/20 0.50
PAX8 Q06710 1/20 0.50
TERT O14746 2/20 0.49
TAAR1 Q96RJ0 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
SCHEMBL1443953 0.98 MAOA (0.64) MAOACHRM2SIGMAR1TMEM97MEN1
Hydrochloric Acid SCHEMBL29778342 0.96 CHRM2 (0.61) MAOACHRM2SIGMAR1TMEM97MEN1
SCHEMBL16151778 0.95 CHRM2 (0.63) MAOACHRM2SIGMAR1TMEM97MEN1
Malonic Acid SCHEMBL6048075 0.89 CCR6 (0.55) MAOACHRM2SIGMAR1TMEM97MEN1
SCHEMBL30090684 0.87 SIGMAR1 (0.69) MAOACHRM2SIGMAR1TMEM97MEN1
SCHEMBL133622 0.86 MEN1 (0.64) MAOACHRM2SIGMAR1TMEM97MEN1
Ammonia Solution, Strong SCHEMBL16268586 0.85 MEN1 (0.61) MAOACHRM2SIGMAR1TMEM97MEN1
Hydrochloric Acid SCHEMBL29778291 0.84 TERT (0.52) MAOACHRM2SIGMAR1TMEM97TDP1
Hydrochloric Acid SCHEMBL29778335 0.82 TERT (0.49) CHRM2SIGMAR1TMEM97TDP1TERT
SCHEMBL16136713 0.82 TERT (0.54) MAOACHRM2SIGMAR1TMEM97TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530226-B2 Azepane inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2022-12-20 US disclosed
EP-3555103-B1 AZEPANE INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2021-09-22 EP disclosed
US-20200339594-A1 Azepane Inhibitors Of Menin-MLL Interaction JANSSEN PHARMACEUTICA NV (BE) 2020-10-29 US disclosed
US-10745409-B2 Azepane inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2020-08-18 US disclosed
US-20190322685-A1 AZEPANE INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2019-10-24 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 (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-10745409-B2 Azepane inhibitors of menin-MLL interaction MEN1, MLLT1, BMI1 MAOA 4555/4885CHRM2 4287/4885SIGMAR1 4885/4885
US-20190322685-A1 AZEPANE INHIBITORS OF MENIN-MLL INTERACTION MEN1, MLLT1, BMI1 MAOA 4555/4885CHRM2 4287/4885SIGMAR1 4885/4885
US-11530226-B2 Azepane inhibitors of menin-MLL interaction MEN1, MLLT1, BMI1 MAOA 4555/4885CHRM2 4287/4885SIGMAR1 4885/4885
US-20200339594-A1 Azepane Inhibitors Of Menin-MLL Interaction MEN1, MLLT1, BMI1 MAOA 4555/4885CHRM2 4287/4885SIGMAR1 4885/4885

“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.