Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | GRM5 | P41594 | 5/20 | 0.47 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12076883 | 1.00 | CYP1A2 (0.48) | CYP1A2GRM5GRM3 | |
| SCHEMBL12076708 | 1.00 | CYP1A2 (0.48) | CYP1A2GRM5GRM3 | |
| SCHEMBL9941440 | 0.88 | — | — | |
| SCHEMBL9940806 | 0.86 | CYP1A2 (0.47) | CYP1A2GRM5GRM3 | |
| SCHEMBL9936870 | 0.86 | CYP1A2 (0.48) | CYP1A2GRM5GRM3 | |
| SCHEMBL9936898 | 0.86 | CYP1A2 (0.48) | CYP1A2GRM5GRM3 | |
| SCHEMBL16270094 | 0.79 | PKM (0.43) | GRM5GRM3 | |
| SCHEMBL18350248 | 0.79 | PKM (0.43) | GRM5GRM3 | |
| SCHEMBL9926436 | 0.77 | GRM5 (0.50) | CYP1A2GRM5 | |
| SCHEMBL9938224 | 0.74 | CYP1A2 (0.64) | CYP1A2GRM5GRM3 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9676782-B2 | Substituted pyrazolo[1,5-a]pyrazines as negative allosteric modulators of metabotropic glutamate receptor 3 | VANDERBILT UNIVERSITY (US) | 2017-06-13 | — | — | US | disclosed |
| US-20150361081-A1 | NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 | VANDERBILT UNIVERSITY | 2015-12-17 | — | — | 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-20140057870-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2014-02-27 | — | — | US | disclosed |
| WO-2013192347-A1 | SUBSTITUTED BICYCLIC CYCLOALKYL PYRAZOLE LACTAM ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2013-12-27 | — | — | WO | disclosed |
| US-20130345204-A1 | SUBSTITUTED BICYCLIC CYCLOALKYL PYRAZOLE LACTAM ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | JANSSEN-CILAG, S.A. (ES) | 2013-12-26 | — | — | 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 (4 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 | CYP1A2 2805/4885GRM5 1/4885GRM3 4/4885 |
| US-20130345204-A1 | SUBSTITUTED BICYCLIC CYCLOALKYL PYRAZOLE LACTAM ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | GRM5, GRIK5, GRM3 | CYP1A2 3597/4885GRM5 1/4885GRM3 3/4885 |
| US-20150361081-A1 | NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 | GRM3, GRM1, GRIN3A | CYP1A2 4630/4885GRM5 8/4885GRM3 1/4885 |
| US-20120225844-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | GRM5, GRIK5, GRIN3A | CYP1A2 2805/4885GRM5 1/4885GRM3 4/4885 |
“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.