Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4869554

CC(C)Oc1ccccc1N1CCN(CCCN2C(=O)C3CC=CCC3C2=O)CC1.Cl

nearest known ligand 0.59

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
ADRA1A known ✓ P35348 6/20 0.55
ADRA1B known ✓ P35368 6/20 0.55
ADRA1D known ✓ P25100 5/20 0.55
DRD2 known ✓ P14416 4/20 0.54
DRD3 known ✓ P35462 2/20 0.54
HTR1A known ✓ P08908 5/20 0.53
HTR2A known ✓ P28223 2/20 0.53
HTR7 known ✓ P34969 3/20 0.52
GLA known ✓ P06280 1/20 0.51
HTR6 known ✓ P50406 1/20 0.51
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
ALOX12 P18054 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL4874588 0.99 ADRA1A (0.56) ADRA1AADRA1BADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL5420310 0.98 DRD2 (0.56) ADRA1AADRA1BADRA1DDRD2DRD3
SCHEMBL5423788 0.97 HTR1A (0.57) ADRA1AADRA1BADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL6110922 0.90 ADRA1A (0.55) ADRA1AADRA1BADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL5821964 0.89 DRD2 (0.56) ADRA1AADRA1BADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL6111788 0.89 ADRA1A (0.54) ADRA1AADRA1BADRA1DDRD2DRD3
SCHEMBL6110726 0.88 ADRA1A (0.56) ADRA1AADRA1BADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL7105041 0.88 DRD2 (0.70) ADRA1AADRA1BADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL5428438 0.88 ADRA1A (0.49) ADRA1AADRA1BADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL5428291 0.88 HTR7 (0.46) ADRA1AADRA1BADRA1DDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167317-A1 Combination Therapy RANBAXY LABORATORIES LIMITED (IN) 2008-07-10 US claimed
WO-2005092342-A1 COMBINATION THERAPY FOR LOWER URINARY TRACT SYMPTOMS RANBAXY LABORATORIES LIMITED (IN) 2005-10-06 WO claimed
US-20080167317-A1 Combination Therapy RANBAXY LABORATORIES LIMITED (IN) 2008-07-10 US disclosed
US-20050228180-A1 Alpha, omega-dicarboximide derivatives as useful uro-selective a1a adrenoceptor blockers RANBAXY LABORATORIES LIMITED (IN) 2005-10-13 US disclosed
WO-2005092342-A1 COMBINATION THERAPY FOR LOWER URINARY TRACT SYMPTOMS RANBAXY LABORATORIES LIMITED (IN) 2005-10-06 WO disclosed
EP-1339682-A1 1,4-DISUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS URO-SELECTIVE $G(A)1-ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES, LTD. (IN) 2003-09-03 EP disclosed
US-20020156085-A1 1,4-Disubstituted piperazine derivatives useful as uro-selective alpha1-adrenoceptor blockers RANBAXY LABORATORIES LIMITED (IN) 2002-10-24 US disclosed
WO-2002044151-A1 1,4-DISUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS URO-SELECTIVE $G(A)1-ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES LIMITED (IN) 2002-06-06 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 (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-20050228180-A1 Alpha, omega-dicarboximide derivatives as useful uro-selective a1a adrenoceptor blockers ADRA1A, ADRB1, ADRA1B ADRA1A 1/4885ADRA1B 3/4885ADRA1D 6/4885
US-20020156085-A1 1,4-Disubstituted piperazine derivatives useful as uro-selective alpha1-adrenoceptor blockers ADRB1, ADRB2, ADRA1B ADRA1A 4/4885ADRA1B 3/4885ADRA1D 5/4885

“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.