Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 5/20 | 0.50 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | SRC | P12931 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | EED | O75530 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL277752 | 0.85 | LMNA (0.52) | LMNACES2CES1MAPK1KDM4E | |
| SCHEMBL16339817 | 0.84 | LMNA (0.47) | BCAT2LMNACES2CES1MAPK1 | |
| SCHEMBL251610 | 0.83 | CA1 (0.51) | LMNACES2CES1MAPK1KDM4E | |
| SCHEMBL4553054 | 0.83 | LMNA (0.47) | BCAT2LMNACES2CES1MAPK1 | |
| SCHEMBL11896558 | 0.83 | CYP1A2 (0.54) | BCAT2LMNACES2CES1MAPK1 | |
| SCHEMBL28770861 | 0.81 | LMNA (0.45) | LMNACES2CES1MAPK1KDM4E | |
| SCHEMBL2593899 | 0.81 | LMNA (0.47) | LMNACES2CES1MAPK1KDM4E | |
| SCHEMBL13281027 | 0.78 | LMNA (0.45) | LMNACES2CES1MAPK1KDM4E | |
| SCHEMBL12545001 | 0.78 | NAAA (0.44) | LMNACES2CES1MAPK1KDM4E | |
| SCHEMBL5133149 | 0.78 | BCAT2 (0.39) | BCAT2LMNACES2CES1MAPK1 |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10385070-B2 | Chroman-spirocyclic piperidine amides as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-08-20 | — | — | US | disclosed |
| US-20170145011-A1 | Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels | VERTEX PHARMA (US) | 2017-05-25 | — | — | US | disclosed |
| US-9511067-B2 | Substituted spiro[piperidine-4,1'-pyrrolo[1,2-a]pyrazine]s as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-12-06 | — | — | US | disclosed |
| US-9403839-B2 | Pyran-spirocyclic piperidine amides as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-08-02 | — | — | US | disclosed |
| US-9365588-B2 | Benzoxazines as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-06-14 | — | — | US | disclosed |
| US-9181273-B2 | Morpholine-spirocyclic piperidine amides as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-11-10 | — | — | US | disclosed |
| US-20150174127-A1 | Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels | VERTEX PHARMACEUTICALS (SAN DIEGO) LLC | 2015-06-25 | — | — | US | disclosed |
| US-20150025073-A1 | MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS (SAN DIEGO) LLC | 2015-01-22 | — | — | US | disclosed |
| US-20150005304-A1 | Pyran-Spirocyclic Piperidine Amides as Modulators of Ion Channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-01-01 | — | — | US | disclosed |
| US-8916565-B2 | Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-12-23 | — | — | US | disclosed |
| WO-2012125613-A1 | MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-09-20 | — | — | WO | disclosed |
| US-20120196869-A1 | PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED | 2012-08-02 | — | — | US | disclosed |
| US-20100075953-A1 | SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2010-03-25 | — | — | US | disclosed |
| US-7605163-B2 | Benzoyl-piperazine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-10-20 | — | — | US | disclosed |
| US-20080306096-A1 | Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents | ASTRAZENECA AB (SE) | 2008-12-11 | — | — | US | disclosed |
| US-20080119486-A1 | BENZOYL-PIPERAZINE DERIVATIVES | JOLIDON SYNESE | 2008-05-22 | — | — | US | disclosed |
| US-7319099-B2 | Such as 1-{3-fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl benzoyl)-piperazin-1-yl]-phenyl}-ethanone for treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia, attention deficit disorders, or Alzheimer's disease | HOFFMANN-LA ROCHE INC. (US) | 2008-01-15 | — | — | US | disclosed |
| US-20050209241-A1 | Benzoyl-piperazine derivatives | HOFFMANN-LA ROCHE INC. | 2005-09-22 | — | — | US | disclosed |
| EP-1343751-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002060859-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-08-08 | — | — | 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 (10 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-20050209241-A1 | Benzoyl-piperazine derivatives | SLC1A2, SLC18A2, SLC6A7 | BCAT2 225/4885LMNA 4719/4885CES2 1089/4885 |
| US-20150174127-A1 | Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels | KCNJ2, KCNJ5, KCNJ1 | BCAT2 3539/4885LMNA 3281/4885CES2 2603/4885 |
| US-20170145011-A1 | Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels | KCNJ2, KCNJ5, KCNJ1 | BCAT2 3539/4885LMNA 3281/4885CES2 2603/4885 |
| US-20100075953-A1 | SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS | HRH3, HRH4, HRH2 | BCAT2 3195/4885LMNA 4344/4885CES2 1923/4885 |
| US-20080306096-A1 | Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents | BRAF, RAF1, NRAS | BCAT2 842/4885LMNA 2789/4885CES2 4094/4885 |
| US-20150025073-A1 | MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | KCNJ2, TRPM5, KCNQ1 | BCAT2 3198/4885LMNA 2005/4885CES2 2630/4885 |
| US-20150005304-A1 | Pyran-Spirocyclic Piperidine Amides as Modulators of Ion Channels | TRPV1, KCNJ2, KCNJ1 | BCAT2 3367/4885LMNA 2134/4885CES2 3109/4885 |
| US-20120196869-A1 | PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | KCNJ2, KCNJ5, KCNJ1 | BCAT2 3539/4885LMNA 3281/4885CES2 2603/4885 |
| US-20080119486-A1 | BENZOYL-PIPERAZINE DERIVATIVES | SLC1A2, SLC18A2, SLC6A7 | BCAT2 225/4885LMNA 4719/4885CES2 1089/4885 |
| US-10385070-B2 | Chroman-spirocyclic piperidine amides as modulators of ion channels | KCNJ2, KCNJ1, KCNC1 | BCAT2 3551/4885LMNA 1347/4885CES2 1378/4885 |
“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.