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 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 known ✓ | P51681 | 20/20 | 0.83 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.73 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6091817 | 1.00 | CCR5 (0.83) | CCR5KCNH2 | |
| SCHEMBL6091634 | 0.99 | CCR5 (0.84) | CCR5KCNH2 | |
| SCHEMBL12207016 | 0.91 | CCR5 (1.00) | CCR5 | |
| SCHEMBL6699455 | 0.90 | CCR5 (0.84) | CCR5 | |
| SCHEMBL6339869 | 0.90 | CCR5 (1.00) | CCR5 | |
| SCHEMBL6336926 | 0.90 | CCR5 (1.00) | CCR5 | |
| SCHEMBL14468466 | 0.89 | CCR5 (0.86) | CCR5KCNH2 | |
| SCHEMBL5439461 | 0.89 | CCR5 (0.86) | CCR5KCNH2 | |
| SCHEMBL5445929 | 0.89 | CCR5 (0.86) | CCR5KCNH2 | |
| SCHEMBL6367796 | 0.89 | CCR5 (0.82) | CCR5KCNH2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060167048-A1 | N-4-piperidinyl compounds as ccr5 modulators | ASTRAZENECA AB (SE) | 2006-07-27 | — | — | US | disclosed |
| US-20050171353-A1 | Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity (especially ccr5) | ASTRAZENECA AB (SE) | 2005-08-04 | — | — | US | disclosed |
| EP-1539695-A1 | N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS | AstraZeneca AB (SE) | 2005-06-15 | — | — | EP | disclosed |
| US-20040266823-A1 | Novel piperidine derivatives as modulators of chemokine receptors | ASTRAZENECA AB (SE) | 2004-12-30 | — | — | US | disclosed |
| EP-1490336-A1 | PIPERIDINE OR 8-AZA-BICYCLO(3.2.1)OCT-3-YL DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) | AstraZeneca AB (SE) | 2004-12-29 | — | — | EP | disclosed |
| EP-1448525-A1 | NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | AstraZeneca AB (SE) | 2004-08-25 | — | — | EP | disclosed |
| US-20040110952-A1 | N-4-piperidinyl compounds as ccr5 modulators | ASTRAZENECA AB (SE) | 2004-06-10 | — | — | US | disclosed |
| WO-2004018425-A1 | N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS | ASTRAZENECA AB (SE) | 2004-03-04 | — | — | WO | disclosed |
| US-20040006081-A1 | Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity | ASTRAZENECA AB (SE) | 2004-01-08 | — | — | US | disclosed |
| EP-1368314-A1 | N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS | AstraZeneca AB (SE) | 2003-12-10 | — | — | EP | disclosed |
| WO-2003080574-A1 | PIPERIDINE OR 8-AZA-BICYCLO[3.2.1]OCT-3-YL DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) | ASTRAZENECA AB (SE) | 2003-10-02 | — | — | WO | disclosed |
| WO-2003042178-A1 | NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | ASTRAZENECA AB (SE) | 2003-05-22 | — | — | WO | disclosed |
| EP-1289957-A1 | PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | AstraZeneca AB (SE) | 2003-03-12 | — | — | EP | disclosed |
| WO-2002070479-A1 | N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS | ASTRAZENECA AB (SE) | 2002-09-12 | — | — | WO | disclosed |
| WO-2001087839-A1 | PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | ASTRAZENECA AB (SE) | 2001-11-22 | — | — | 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 (5 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050171353-A1 | Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity (especially ccr5) | CCR5, CXCR1, CCR7 | CCR5 1/4885KCNH2 1730/4885 |
| US-20060167048-A1 | N-4-piperidinyl compounds as ccr5 modulators | CCR5, CCL5, CCR2 | CCR5 1/4885KCNH2 2731/4885 |
| US-20040266823-A1 | Novel piperidine derivatives as modulators of chemokine receptors | CCR5, CCR2, CX3CR1 | CCR5 1/4885KCNH2 2886/4885 |
| US-20040110952-A1 | N-4-piperidinyl compounds as ccr5 modulators | CCR5, CCL5, CCR2 | CCR5 1/4885KCNH2 2789/4885 |
| US-20040006081-A1 | Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity | CCR5, CCR2, CCR1 | CCR5 1/4885KCNH2 3181/4885 |
“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.