Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 6/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18858526 | 0.86 | KCNH2 (0.48) | SYKNOS3NOS1NOS2ESR1 | |
| SCHEMBL12747801 | 0.82 | HTR7 (0.34) | HTR7KCNH2KDM1AMAOAMAOB | |
| SCHEMBL12120627 | 0.81 | SYK (0.40) | SYKNOS3NOS1NOS2ESR1 | |
| SCHEMBL11389831 | 0.80 | NOS1 (0.46) | SYKNOS3NOS1NOS2ESR1 | |
| SCHEMBL14279059 | 0.80 | GABRA1 (0.38) | NOS3NOS1NOS2ESR1HTR7 | |
| SCHEMBL10203034 | 0.79 | KDM1A (0.41) | SYKNOS3NOS1NOS2ESR1 | |
| SCHEMBL23140220 | 0.78 | KCNH2 (0.42) | SYKNOS3NOS1NOS2ESR1 | |
| SCHEMBL18924412 | 0.78 | KCNH2 (0.52) | SYKNOS3NOS1NOS2ESR1 | |
| SCHEMBL12123987 | 0.78 | KCNH2 (0.47) | SYKNOS3NOS1NOS2ESR1 | |
| SCHEMBL11991705 | 0.78 | NOS2 (0.44) | SYKNOS3NOS1NOS2ESR1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113896678-A | Method for preparing 2-chloro-4-neopentyl pyridine | 上海凌凯医药科技有限公司 | 2022-01-07 | — | — | CN | disclosed |
| CN-112279804-A | Method for preparing 2-chloro-4-neopentyl pyridine | 上海凌凯医药科技有限公司 | 2021-01-29 | — | — | CN | disclosed |
| US-20140057870-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2014-02-27 | — | — | US | disclosed |
| US-20140057870-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2014-02-27 | — | — | US | disclosed |
| US-8592422-B2 | Bicyclic triazole and pyrazole lactams as allosteric modulators of mGluR5 receptors | VANDERBILT UNIVERSITY (US) | 2013-11-26 | — | — | US | disclosed |
| EP-2651222-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | Vanderbilt University (US) | 2013-10-23 | — | — | EP | disclosed |
| US-20120225844-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | JANSSEN-CILAG S.A. (ES) | 2012-09-06 | — | — | US | disclosed |
| US-20120225844-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | JANSSEN-CILAG S.A. (ES) | 2012-09-06 | — | — | US | disclosed |
| US-20120225844-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | JANSSEN-CILAG S.A. (ES) | 2012-09-06 | — | — | US | disclosed |
| WO-2012083224-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2012-06-21 | — | — | WO | disclosed |
| WO-2012083224-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2012-06-21 | — | — | 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-20140057870-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | GRM5, GRIK5, GRIN3A | SYK 4027/4885NOS3 2959/4885NOS1 3841/4885 |
| US-20120225844-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | GRM5, GRIK5, GRIN3A | SYK 4027/4885NOS3 2959/4885NOS1 3841/4885 |
“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.