Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6438947

CCOc1cc(C2CN(C)CCC2N)ccc1OC.Cl.Cl

nearest known ligand 0.49

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 7)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 7/20 0.49
PDE4A known ✓ P27815 2/20 0.43
PDE4B known ✓ Q07343 1/20 0.40
KDM1A O60341 4/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
QDPR P09417 1/20 0.40

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 SCHEMBL6438943 1.00 DPP4 (0.49) DPP4KDM1APDE4APDE4BMEN1
Hydrochloric Acid SCHEMBL6438950 1.00 DPP4 (0.49) DPP4KDM1APDE4APDE4BMEN1
SCHEMBL6441317 0.99 DPP4 (0.50) DPP4KDM1APDE4APDE4BQDPR
SCHEMBL6441313 0.99 DPP4 (0.50) DPP4KDM1APDE4APDE4BQDPR
SCHEMBL6441320 0.99 DPP4 (0.50) DPP4KDM1APDE4APDE4BQDPR
Hydrochloric Acid SCHEMBL7205702 0.95 DPP4 (0.49) DPP4KDM1AMEN1KMT2AQDPR
Hydrochloric Acid SCHEMBL7205700 0.95 DPP4 (0.49) DPP4KDM1AMEN1KMT2AQDPR
Hydrochloric Acid SCHEMBL7205705 0.95 DPP4 (0.49) DPP4KDM1AMEN1KMT2AQDPR
SCHEMBL7212847 0.94 DPP4 (0.50) DPP4KDM1AMEN1KMT2AQDPR
SCHEMBL7212853 0.94 DPP4 (0.50) DPP4KDM1AMEN1KMT2AQDPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936622-B2 6-phenylbenzonaphthyridines ALTANA PHARMA AG (DE) 2005-08-30 US claimed
EP-1377574-B1 6-PHENYLBENZONAPHTHYRIDINES BYK GULDEN LOMBERG CHEM FAB (DE) 2005-01-19 EP claimed
EP-1109810-B1 BENZONAPHTHYRIDINE-N-OXIDES COMPRISING A PDE3 AND PDE4 INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2004-06-16 EP claimed
US-20040097537-A1 6-phenylbenzonaphthyridines TAKEDA GMBH (DE) 2004-05-20 US claimed
EP-1377574-A1 6-PHENYLBENZONAPHTHYRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2004-01-07 EP claimed
WO-2002066476-A9 6-PHENYLBENZONAPHTHYRIDINES ALTANA PHARMA AG (DE) 2003-10-30 WO claimed
EP-1075477-B1 Novel Benzonaphthyridine-N-oxides ALTANA PHARMA AG (DE) 2003-03-12 EP claimed
WO-2002066476-A1 6-PHENYLBENZONAPHTHYRIDINES ALTANA PHARMA AG (DE) 2002-08-29 WO claimed
US-6306869-B1 N-oxides BYK GULDEN LOMBERG CHEMISCHE FEBRIK GMBH (DE) 2001-10-23 US claimed
US-6936622-B2 6-phenylbenzonaphthyridines ALTANA PHARMA AG (DE) 2005-08-30 US disclosed
EP-1377574-B1 6-PHENYLBENZONAPHTHYRIDINES BYK GULDEN LOMBERG CHEM FAB (DE) 2005-01-19 EP disclosed
US-20040097537-A1 6-phenylbenzonaphthyridines TAKEDA GMBH (DE) 2004-05-20 US disclosed
EP-1377574-A1 6-PHENYLBENZONAPHTHYRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2004-01-07 EP disclosed
WO-2002066476-A9 6-PHENYLBENZONAPHTHYRIDINES ALTANA PHARMA AG (DE) 2003-10-30 WO disclosed
WO-2002066476-A1 6-PHENYLBENZONAPHTHYRIDINES ALTANA PHARMA AG (DE) 2002-08-29 WO disclosed
US-6436952-B1 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS; INFLAMMATORY AIRWAY DISORDERS, SUCH AS ASTHMA; ANTIINFLAMMATORY; 6-(4-(2H-2-ETHYLTETRAZOL-5-YL) PHENYL)-1,2,3,4,4A,10B-HEXAHYDROBENZO(C)(1,6)NAOHTHYRIDINE N-2-OXIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-08-20 US disclosed
US-6306869-B1 N-oxides BYK GULDEN LOMBERG CHEMISCHE FEBRIK GMBH (DE) 2001-10-23 US disclosed
US-6008215-A TREATING INFLAMMATORY AIRWAY DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-28 US disclosed
EP-0937074-A1 BENZONAPHTHYRIDINES AS BRONCHIAL THERAPEUTICS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-08-25 EP disclosed
WO-1998021208-A1 BENZONAPHTHYRIDINES AS BRONCHIAL THERAPEUTICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-05-22 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 (1 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-20040097537-A1 6-phenylbenzonaphthyridines PDE3A, PDE4A, PDE3B DPP4 25/4885PDE4A 2/4885PDE4B 4/4885

“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.