Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CCL2 | P13500 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL514156 | 0.93 | BRD4 (0.34) | BRD4CCL2HTR2AKDM4ELMNA | |
| SCHEMBL11348748 | 0.86 | BRD4 (0.41) | BRD4CCL2HTR2AATMKDM4E | |
| SCHEMBL18516527 | 0.79 | FAAH (0.31) | ATM | |
| SCHEMBL18814602 | 0.79 | — | — | |
| SCHEMBL15615571 | 0.75 | DRD2 (0.30) | DRD2 | |
| SCHEMBL8003375 | 0.74 | BRD4 (0.35) | BRD4CCL2HTR2AATM | |
| SCHEMBL4958554 | 0.73 | BRD4 (0.37) | BRD4CCL2HTR2AATMHTR6 | |
| SCHEMBL10390576 | 0.73 | BRD4 (0.41) | BRD4CCL2HTR2AATMKDM4E | |
| SCHEMBL17284105 | 0.71 | BRD4 (0.36) | BRD4CCL2HTR2AATM | |
| Hydrochloric Acid SCHEMBL11111763 | 0.70 | BRD4 (0.35) | BRD4CCL2HTR2AATM |
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 147 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170152446-A1 | NANOCATALYST COMPOSITION, METHOD FOR MAKING NANOCATALYST COMPOSITION AND HYDROCONVERSION PROCESS USING SAME | INTEVEP, S.A. (VE) | 2017-06-01 | — | — | US | claimed |
| US-20150336951-A1 | Process For The Preparation Of A DPP-IV Inhibitor | HOFFMANN-LA ROCHE INC. | 2015-11-26 | — | — | US | claimed |
| US-20150252039-A1 | Process For The Preparation Of Pyrido[2,1-a] Isoquinoline Derivatives By Catalytic Asymmetric Hydrogenation Of An Enamine | HOFFMANN-LA ROCHE INC. | 2015-09-10 | — | — | US | claimed |
| US-20150126743-A1 | Process For The Preparation Of Pyrido [2,1-A] Isoquinoline Derivatives Comprising Optical Resolution Of An Enamine | HOFFMANN-LA ROCHE INC. | 2015-05-07 | — | — | US | claimed |
| US-20150031888-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | F. HOFFMANN-LA ROCHE AG (CH) | 2015-01-29 | — | — | US | claimed |
| US-20140350257-A1 | Process for the Preparation of a DPP-IV Inhibitor | F. HOFFMANN-LA ROCHE AG (CH) | 2014-11-27 | — | — | US | claimed |
| US-20140187785-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | HOFFMANN-LA ROCHE INC. (US) | 2014-07-03 | — | — | US | claimed |
| US-20140046066-A1 | PROCESS FOR THE PREPARATION OF DPP-IV INHIBITOR | HOFFMANN-LA ROCHE INC. (US) | 2014-02-13 | — | — | US | claimed |
| US-20130338366-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-A] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | HOFFMANN LA ROCHE (US) | 2013-12-19 | — | — | US | claimed |
| US-20130109859-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | HOFFMANN-LA ROCHE INC. (US) | 2013-05-02 | — | — | US | claimed |
| EP-2066667-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | F. Hoffmann-Roche AG (CH) | 2009-06-10 | — | — | EP | claimed |
| US-20090105480-A1 | PROCESS FOR THE PREPARATION OF A DPP-IV INHIBITOR | HOFFMANN-LA ROCHE, INC. | 2009-04-23 | — | — | US | claimed |
| WO-2009027276-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2, 1-A] ISOQUINOLINE DERIVATIVES AND POLYMORPHIC FROMS THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2009-03-05 | — | — | WO | claimed |
| EP-1893595-B1 | PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | HOFFMANN LA ROCHE (CH) | 2008-09-03 | — | — | EP | claimed |
| US-20080108816-A1 | PROCESS FOR THE PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | F. HOFFMANN-LA ROCHE AG (CH) | 2008-05-08 | — | — | US | claimed |
| US-20080076925-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [ 2-1-A] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-27 | — | — | US | claimed |
| WO-2008031749-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-20 | — | — | WO | claimed |
| US-20080071087-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-a] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | HOFFMAN-LA ROCHE INC. | 2008-03-20 | — | — | US | claimed |
| WO-2008031750-A2 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-20 | — | — | WO | claimed |
| US-20060270853-A1 | Process for the preparation of (S)-4-fluoromethyl-dihydro-furan-2-one useful in the preparation of the DPP-IV inhibitor (S)-1 ((2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7, 11b-hexahydro-2h-pyrido[2,1-a] isoquinolin-3-yl)-4-fluoromethyl-pyrrolidin-2-one | HOFFMANN-LA ROCHE INC. | 2006-11-30 | — | — | US | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (14 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-20080076925-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [ 2-1-A] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | PNISR, SFPQ, PLPBP | BRD4 359/4885CCL2 2672/4885HTR2A 126/4885 |
| US-20130109859-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | IDO2, IDO1, H1-2 | BRD4 108/4885CCL2 2408/4885HTR2A 60/4885 |
| US-20150031888-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | IDO2, IDO1, H1-2 | BRD4 108/4885CCL2 2408/4885HTR2A 60/4885 |
| US-20090105480-A1 | PROCESS FOR THE PREPARATION OF A DPP-IV INHIBITOR | DPP4, DPP3, DPP7 | BRD4 1498/4885CCL2 3697/4885HTR2A 313/4885 |
| US-20140046066-A1 | PROCESS FOR THE PREPARATION OF DPP-IV INHIBITOR | DPP4, DPP3, DPP7 | BRD4 1360/4885CCL2 3626/4885HTR2A 276/4885 |
| US-20140350257-A1 | Process for the Preparation of a DPP-IV Inhibitor | DPP4, DPP3, DPP7 | BRD4 1498/4885CCL2 3697/4885HTR2A 313/4885 |
| US-20080108816-A1 | PROCESS FOR THE PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | DPP4, DPP7, DPP3 | BRD4 2383/4885CCL2 4001/4885HTR2A 835/4885 |
| US-20130338366-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-A] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | PNPO, ENO1, CHRM1 | BRD4 983/4885CCL2 3838/4885HTR2A 470/4885 |
| US-20150336951-A1 | Process For The Preparation Of A DPP-IV Inhibitor | DPP4, DPP3, DPP7 | BRD4 1498/4885CCL2 3697/4885HTR2A 313/4885 |
| US-20060270853-A1 | Process for the preparation of (S)-4-fluoromethyl-dihydro-furan-2-one useful in the preparation of the DPP-IV inhibitor (S)-1 ((2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7, 11b-hexahydro-2h-pyrido[2,1-a] isoquinolin-3-yl)-4-fluoromethyl-pyrrolidin-2-one | DPP4, DPP7, DPP3 | BRD4 1249/4885CCL2 4022/4885HTR2A 820/4885 |
| US-20150252039-A1 | Process For The Preparation Of Pyrido[2,1-a] Isoquinoline Derivatives By Catalytic Asymmetric Hydrogenation Of An Enamine | IDO2, IDO1, H1-2 | BRD4 108/4885CCL2 2408/4885HTR2A 60/4885 |
| US-20150126743-A1 | Process For The Preparation Of Pyrido [2,1-A] Isoquinoline Derivatives Comprising Optical Resolution Of An Enamine | PNPO, ENO1, CHRM1 | BRD4 983/4885CCL2 3838/4885HTR2A 470/4885 |
| US-20140187785-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | IDO2, IDO1, H1-2 | BRD4 108/4885CCL2 2408/4885HTR2A 60/4885 |
| US-20080071087-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-a] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | PNPO, ENO1, CHRM1 | BRD4 983/4885CCL2 3838/4885HTR2A 470/4885 |
“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.