Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.43 |
| ▸ | CCR5 | P51681 | 2/20 | 0.43 |
| ▸ | CCR8 | P51685 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 4/20 | 0.42 |
| ▸ | NOS3 | P29474 | 2/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29471995 | 0.81 | BACE1 (0.40) | GRM5 | |
| SCHEMBL22531721 | 0.81 | BACE1 (0.40) | GRM5 | |
| SCHEMBL1914210 | 0.79 | GRM5 (0.39) | GRM5CYP2A6CYP1A2 | |
| SCHEMBL12295342 | 0.78 | CCR1 (0.46) | CCR1CCR5CCR8HDAC6GRM5 | |
| SCHEMBL30078552 | 0.78 | CCR1 (0.46) | CCR1CCR5CCR8HDAC6GRM5 | |
| SCHEMBL3348341 | 0.78 | GRM5 (0.51) | GRM5 | |
| SCHEMBL19453039 | 0.78 | HCAR2 (0.34) | GRM5 | |
| SCHEMBL3212577 | 0.78 | ADRA2A (0.36) | GRM5ADRA2AADRA2BADRA2CPLAU | |
| SCHEMBL1137069 | 0.78 | ADRA2A (0.37) | GRM5ADRA2AADRA2BADRA2CRAB9A | |
| SCHEMBL29350657 | 0.78 | ADRA2A (0.37) | GRM5ADRA2AADRA2BADRA2CRAB9A |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103917528-B | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-04-20 | — | — | CN | disclosed |
| EP-2748151-B1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME (US) | 2016-03-16 | — | — | EP | disclosed |
| EP-2748151-B1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME (US) | 2016-03-16 | — | — | EP | disclosed |
| US-9062059-B2 | Pyrimidine PDE10 inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-06-23 | — | — | US | disclosed |
| US-9062059-B2 | Pyrimidine PDE10 inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-06-23 | — | — | US | disclosed |
| US-9062059-B2 | Pyrimidine PDE10 inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-06-23 | — | — | US | disclosed |
| WO-2014124560-A1 | MGLUR REGULATORS | HUA MEDICINE (SHANGHAI) LTD. (CN) | 2014-08-21 | — | — | WO | disclosed |
| US-20140228368-A1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME LLC | 2014-08-14 | — | — | US | disclosed |
| US-20140228368-A1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME LLC | 2014-08-14 | — | — | US | disclosed |
| US-20140228368-A1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME LLC | 2014-08-14 | — | — | US | disclosed |
| CN-103917528-A | Pyrimidine PDE10 inhibitors | MERCK SHARP & DOHME | 2014-07-09 | — | — | CN | disclosed |
| EP-2748151-A1 | PYRIMIDINE PDE10 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-07-02 | — | — | EP | disclosed |
| WO-2013028590-A1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-02-28 | — | — | WO | disclosed |
| WO-2013028590-A1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-02-28 | — | — | WO | disclosed |
| US-7531541-B2 | Partial mGluR5 antagonists for treatment of anxiety and CNS disorders | VANDERBILT UNIVERSITY (US) | 2009-05-12 | — | — | US | disclosed |
| US-20070208028-A1 | Partial mGluR5 antagonists for treatment of anxiety and CNS disorders | VANDERBILT UNIVERSITY | 2007-09-06 | — | — | US | disclosed |
| WO-2007035823-A2 | PARTIAL MGLUR5 ANTAGONISTS AND METHODS OF USE THEREOF | MOLECULAR NEUROIMAGING, LLC (US) | 2007-03-29 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140228368-A1 | PYRIMIDINE PDE10 INHIBITORS | PDE12, PDE10A, PDE11A | CCR1 4070/4885CCR5 2152/4885CCR8 4166/4885 |
| US-20070208028-A1 | Partial mGluR5 antagonists for treatment of anxiety and CNS disorders | GRM5, GRIK5, GRM1 | CCR1 1728/4885CCR5 551/4885CCR8 3383/4885 |
“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.