Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.47 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.47 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.47 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29957876 | 1.00 | CHRM1 (0.48) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28444248 | 1.00 | CHRM1 (0.48) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL15609874 | 1.00 | CHRM1 (0.48) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL15609557 | 1.00 | CHRM1 (0.48) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL765683 | 1.00 | CHRM1 (0.48) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL28446672 | 0.98 | CHRM1 (0.46) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL15609267 | 0.98 | CHRM1 (0.46) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL6379154 | 0.98 | CHRM1 (0.46) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL15539631 | 0.98 | CHRM1 (0.46) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL3692631 | 0.98 | CHRM1 (0.46) | CHRM1AKR1A1CHRM3HTR2AHTR2C |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014083582-A2 | NOVEL PROCESS FOR THE PREPARATION OF (1S,3AR,6AS)-2-[(2S)-2-({(2S)-2-CYCLOHEXYL-2-[(PYRAZIN-2-YLCARBONYL)AMINO]ACETYL}AMINO)-3,3-DIMETHYLBUTANOYL]-N-[(3S)-1-(CYCLOPROPYLAMINO)-1,2-DIOXOHEXAN-3-YL]-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA[C] PYRROLE-1-CARBOXAMIDE AND ITS INTERMEDIATES | MSN LABORATORIES LIMITED (IN) | 2014-06-05 | — | — | WO | claimed |
| US-20140323689-A1 | PROCESS FOR THE PREPARATION OF A VIRAL PROTEASE INHIBITOR AND INTERMEDIATES THEREOF | DIPHARMA FRANCIS S.R.I. (IT) | 2014-10-30 | — | — | US | disclosed |
| US-20140294763-A1 | PEPTIDOMIMETIC PROTEASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-10-02 | — | — | US | disclosed |
| US-20140294763-A1 | PEPTIDOMIMETIC PROTEASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-10-02 | — | — | US | disclosed |
| WO-2014083582-A2 | NOVEL PROCESS FOR THE PREPARATION OF (1S,3AR,6AS)-2-[(2S)-2-({(2S)-2-CYCLOHEXYL-2-[(PYRAZIN-2-YLCARBONYL)AMINO]ACETYL}AMINO)-3,3-DIMETHYLBUTANOYL]-N-[(3S)-1-(CYCLOPROPYLAMINO)-1,2-DIOXOHEXAN-3-YL]-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA[C] PYRROLE-1-CARBOXAMIDE AND ITS INTERMEDIATES | MSN LABORATORIES LIMITED (IN) | 2014-06-05 | — | — | WO | disclosed |
| WO-2014083582-A2 | NOVEL PROCESS FOR THE PREPARATION OF (1S,3AR,6AS)-2-[(2S)-2-({(2S)-2-CYCLOHEXYL-2-[(PYRAZIN-2-YLCARBONYL)AMINO]ACETYL}AMINO)-3,3-DIMETHYLBUTANOYL]-N-[(3S)-1-(CYCLOPROPYLAMINO)-1,2-DIOXOHEXAN-3-YL]-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA[C] PYRROLE-1-CARBOXAMIDE AND ITS INTERMEDIATES | MSN LABORATORIES LIMITED (IN) | 2014-06-05 | — | — | WO | disclosed |
| US-20140148574-A1 | SYNTHESIS OF AN INTERMEDIATE OF AN ANTIVIRAL COMPOUND | DIPHARMA FRANCIS S.R.L. (IT) | 2014-05-29 | — | — | US | disclosed |
| EP-2368877-B1 | Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection | VERTEX PHARMA (US) | 2014-05-07 | — | — | EP | disclosed |
| US-20140031277-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-30 | — | — | US | disclosed |
| US-20140031277-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-30 | — | — | US | disclosed |
| US-7612237-B2 | By reaction between epoxycarboxamides and ammonia or amines and enantioselectively crystallizing the salts of racemic diastereomerically enriched compounds using a chiral organic acid | DEGUSSA GMBH (DE) | 2009-11-03 | — | — | US | disclosed |
| US-7612237-B2 | By reaction between epoxycarboxamides and ammonia or amines and enantioselectively crystallizing the salts of racemic diastereomerically enriched compounds using a chiral organic acid | DEGUSSA GMBH (DE) | 2009-11-03 | — | — | US | disclosed |
| EP-1320540-B1 | PEPTIDOMIMETIC PROTEASE INHIBITORS | VERTEX PHARMA (US) | 2009-05-13 | — | — | EP | disclosed |
| US-7494988-B2 | Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-02-24 | — | — | US | disclosed |
| US-7494988-B2 | Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-02-24 | — | — | US | disclosed |
| US-20080015368-A1 | Process for preparing beta-amino-alpha-hydroxycarboxamides | DEGUSSA GMBH (DE) | 2008-01-17 | — | — | US | disclosed |
| US-20080015368-A1 | Process for preparing beta-amino-alpha-hydroxycarboxamides | DEGUSSA GMBH (DE) | 2008-01-17 | — | — | US | disclosed |
| EP-1876173-A1 | Chiral intermediates for the preparation of peptidomimetic protease inhibitors | Vertex Pharmaceuticals Incorporated (US) | 2008-01-09 | — | — | EP | disclosed |
| EP-1849797-A2 | Peptidomimetic protease inhibitors | Vertex Pharmaceuticals Incorporated (US) | 2007-10-31 | — | — | EP | disclosed |
| WO-2005077969-A2 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-08-25 | — | — | 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-20140148574-A1 | SYNTHESIS OF AN INTERMEDIATE OF AN ANTIVIRAL COMPOUND | ZC3HAV1, PREP, EIF2AK2 | CHRM1 4840/4885AKR1A1 3304/4885CHRM3 4818/4885 |
| US-20140294763-A1 | PEPTIDOMIMETIC PROTEASE INHIBITORS | CTSC, PREP, PEPD | CHRM1 4787/4885AKR1A1 2305/4885CHRM3 4689/4885 |
| US-20140031277-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | PRSS1, SERPINB1, SPINT2 | CHRM1 4848/4885AKR1A1 2018/4885CHRM3 4846/4885 |
| US-20080015368-A1 | Process for preparing beta-amino-alpha-hydroxycarboxamides | BCAT1, ASPH, BCAT2 | CHRM1 3251/4885AKR1A1 571/4885CHRM3 3739/4885 |
| US-20140323689-A1 | PROCESS FOR THE PREPARATION OF A VIRAL PROTEASE INHIBITOR AND INTERMEDIATES THEREOF | PREP, SPINT2, CTRL | CHRM1 4869/4885AKR1A1 3729/4885CHRM3 4844/4885 |
“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.