Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4821984

CCCCN1C(=O)[C@@H](CC2(O)CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2.Cl

nearest known ligand 0.80

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 5)

geneUniProtsupporting neighboursconfidence
CCR5 known ✓ P51681 20/20 0.80
CYP2C9 P11712 4/20 0.80
CYP3A4 P08684 3/20 0.80
CXCR4 P61073 2/20 0.71
CYP2D6 P10635 1/20 0.67

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 SCHEMBL5346728 1.00 CCR5 (0.80) CCR5CYP2C9CYP3A4CXCR4CYP2D6
Hydrochloric Acid SCHEMBL6186243 1.00 CCR5 (0.80) CCR5CYP2C9CYP3A4CXCR4CYP2D6
SCHEMBL4824652 0.99 CCR5 (0.79) CCR5CYP2C9CYP3A4CXCR4CYP2D6
SCHEMBL5345226 0.99 CCR5 (0.79) CCR5CYP2C9CYP3A4CXCR4CYP2D6
Hydrochloric Acid SCHEMBL5343795 0.99 CCR5 (0.78) CCR5CYP2C9CYP3A4CXCR4
SCHEMBL5351415 0.98 CCR5 (0.78) CCR5CYP2C9CYP3A4CXCR4
Hydrochloric Acid SCHEMBL6187101 0.98 CCR5 (0.76) CCR5CYP2C9CYP3A4CXCR4CYP2D6
Hydrochloric Acid SCHEMBL6189078 0.98 CCR5 (0.78) CCR5CYP2C9CYP3A4CXCR4
Hydrochloric Acid SCHEMBL6189629 0.96 CCR5 (0.78) CCR5CYP2C9CYP3A4CXCR4
Hydrochloric Acid SCHEMBL5346494 0.96 CCR5 (0.73) CCR5CYP2C9CYP3A4CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361758-B2 Crystals of triazaspiro[5.5]undecane derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-22 US claimed
EP-1378510-B1 TRIAZASPIRO (5.5) UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2006-06-07 EP claimed
US-7053090-B2 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-30 US claimed
US-20060052407-A1 Novel crystals of triazaspiro [5.5] undecane derivative ONO PHARMACEUTICAL CO,., LTD (JP) 2006-03-09 US claimed
EP-1541573-A1 NOVEL CRYSTALS OF TRIAZASPIRO 5.5 UNDECANE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-15 EP claimed
US-7361758-B2 Crystals of triazaspiro[5.5]undecane derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-22 US disclosed
US-7361758-B2 Crystals of triazaspiro[5.5]undecane derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-22 US disclosed
US-7285552-B2 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2007-10-23 US disclosed
US-7262193-B2 Triazaspiro[5.5]undecane derivative and pharmaceutical composition comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
EP-1541573-A4 NOVEL CRYSTALS OF TRIAZASPIRO 5.5 UNDECANE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2007-05-02 EP disclosed
US-20060251651-A1 Antagonist and agonist which bind to a strong binding site of chemokine receptor ONO PHARMACEUTICAL CO., LTD. 2006-11-09 US disclosed
US-7053090-B2 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-30 US disclosed
EP-1541573-A1 NOVEL CRYSTALS OF TRIAZASPIRO 5.5 UNDECANE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-15 EP disclosed
EP-1541573-A1 NOVEL CRYSTALS OF TRIAZASPIRO 5.5 UNDECANE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-15 EP disclosed
EP-1541574-A1 TRIAZASPIRO 5.5 UNDECANE DERIVATIVES AND DRUGS COMPRISI NG THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-15 EP disclosed
US-20040106619-A1 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2004-06-03 US disclosed
US-20040082584-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
WO-2004026874-A1 NOVEL CRYSTALS OF TRIAZASPIRO[5.5]UNDECANE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 WO disclosed
EP-1378509-A1 DRUGS CONTAINING TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-07 EP disclosed
EP-1378510-A1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-07 EP 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-20060052407-A1 Novel crystals of triazaspiro [5.5] undecane derivative ACKR3, CCR10, CCR9 CCR5 4/4885CYP2C9 836/4885CYP3A4 1510/4885
US-20040106619-A1 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient NONO, NAA15, USO1 CCR5 369/4885CYP2C9 860/4885CYP3A4 403/4885
US-20040082584-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient ACKR3, CXCR5, CCL11 CCR5 4/4885CYP2C9 642/4885CYP3A4 641/4885
US-20060251651-A1 Antagonist and agonist which bind to a strong binding site of chemokine receptor CCR5, CXCR3, CCR2 CCR5 1/4885CYP2C9 3953/4885CYP3A4 3489/4885

“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.