Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7033291

COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1.Cl.O

nearest known ligand 0.98

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
ADRA1A known ✓ P35348 20/20 0.98
ADRA1D known ✓ P25100 18/20 0.98
ADRA1B known ✓ P35368 18/20 0.98
ADRA2A known ✓ P08913 16/20 0.98
ADRA2B known ✓ P18089 16/20 0.98
ADRA2C known ✓ P18825 16/20 0.98
TDP1 Q9NUW8 1/20 0.98

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
SCHEMBL5919546 0.98 ADRA1A (0.98) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL5165068 0.98 ADRA1A (0.98) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL5453007 0.91 ADRA1A (0.89) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL5452997 0.91 ADRA1A (0.89) ADRA1AADRA1DADRA1BADRA2AADRA2B
Hydrochloric Acid SCHEMBL8537000 0.88 ADRA1A (0.98) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7237529 0.87 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7029472 0.83 ADRA1A (0.75) ADRA1AADRA1DADRA1BADRA2AADRA2B
Hydrochloric Acid SCHEMBL7236187 0.83 ADRA1A (0.73) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7237578 0.83 ADRA1A (0.74) ADRA1AADRA1DADRA1BADRA2AADRA2B
Hydrochloric Acid SCHEMBL7240209 0.83 ADRA1A (0.85) ADRA1AADRA1DADRA1BADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602888-B2 Binds to a human alpha 1C adrenergic receptor with a binding affinity greater than ten-fold higher than the binding affinity with which the compound binds to a human alpha 1A adrenergic receptor SYNAPTIC PHARMACEUTICAL CORPORATION 2003-08-05 US disclosed
US-20030022900-A1 Compositions comprising alpha-1C specific compounds SYNAPTIC PHARMACEUTICAL CORPORATION 2003-01-30 US disclosed
US-20020032219-A1 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA H. LUNDBECK A/S (DK) 2002-03-14 US disclosed
US-6015819-A ADMINISTERING ADRENERGIC BLOCKING AGENT; REDUCTION OF ORTHOSTATIC FALL IN BLOOD PRESSURE SIDE EFFECT; FDA ORANGE BOOK LISTED PATENT FOR SILODOSIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-01-18 US disclosed
US-5990128-A ADMINISTERING AN ANTAGONIST THAT BINDS TO A HUMAN ALPHA-1C ADRENERGIC RECEPTOR WITH A BINDING AFFINITY AT LEAST 691-FOLD HIGHER THAN THE BINDING AFFINITY WITH WHICH THE ANTAGONIST BINDS TO A HUMAN ALPHA-1B ADRENERGIC RECEPTOR SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-11-23 US disclosed
EP-0758894-A4 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA SYNAPTIC PHARMA CORP (US) 1999-05-19 EP disclosed
EP-0667769-A4 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA. SYNAPTIC PHARMA CORP (US) 1998-02-04 EP disclosed
EP-0758894-A1 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-02-26 EP disclosed
US-5578611-A ANTITUMOR AGENTS AND PROSTATE TUMOR DETECTION BY BINDING HUMAN ALPHA-ADRENERGIC RECEPTOR AND HISTAMINE H1 RECEPTORS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-11-26 US disclosed
US-5508306-A USED FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA, LOWERING INTRAOCULAR PRESSURE AND INHIBITING CHOLESTEROL SYNTHESIS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-04-16 US disclosed
WO-1995028157-A1 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1995-10-26 WO disclosed
EP-0667769-A1 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1995-08-23 EP disclosed
WO-1995007075-A9 NOVEL AROMATIC AMINE DERIVATIVES 1995-04-27 WO disclosed
WO-1994010989-A1 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1994-05-26 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-20030022900-A1 Compositions comprising alpha-1C specific compounds ADRB1, ADRA1B, ADRA1A ADRA1A 3/4885ADRA1D 4/4885ADRA1B 2/4885
US-20020032219-A1 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA ADRB1, ADRA1B, ADRA1A ADRA1A 3/4885ADRA1D 4/4885ADRA1B 2/4885

“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.