Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | GRM5 | P41594 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9941025 | 0.86 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1 | |
| SCHEMBL17340784 | 0.84 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1 | |
| SCHEMBL4494006 | 0.83 | ALDH1A1 (0.82) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1 | |
| SCHEMBL24687615 | 0.81 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1 | |
| SCHEMBL9938822 | 0.80 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1 | |
| SCHEMBL2521926 | 0.80 | SMN1; SMN2 (0.80) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1 | |
| SCHEMBL9941742 | 0.79 | ALDH1A1 (0.82) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1 | |
| SCHEMBL17334358 | 0.75 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL17340787 | 0.75 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MEN1 | |
| SCHEMBL24687768 | 0.74 | COMT (0.51) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19PKM |
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-117279917-A | Piperazine derivatives and their use in medicine | 成都百裕制药股份有限公司 | 2023-12-22 | — | — | CN | disclosed |
| WO-2022242750-A1 | PIPERAZINE DERIVATIVE AND USE THEREOF IN MEDICINE | 成都百裕制药股份有限公司 | 2022-11-24 | — | — | WO | disclosed |
| 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-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-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-20150361081-A1 | NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 | VANDERBILT UNIVERSITY | 2015-12-17 | — | — | 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 |
| 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 (3 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 | ALDH1A1 4699/4885SMN1; SMN2 2857/4885CYP1A2 2805/4885 |
| US-20150361081-A1 | NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 | GRM3, GRM1, GRIN3A | ALDH1A1 4735/4885SMN1; SMN2 2660/4885CYP1A2 4630/4885 |
| US-20120225844-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | GRM5, GRIK5, GRIN3A | ALDH1A1 4699/4885SMN1; SMN2 2857/4885CYP1A2 2805/4885 |
“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.