Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.32 |
| ▸ | OGA | O60502 | 2/20 | 0.31 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.31 |
| ▸ | TPMT | P51580 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL12273992 | 1.00 | ESR1 (0.39) | ESR1ESR2NR1I2GSK3BCES2 | |
| SCHEMBL14593355 | 0.87 | ESR1 (0.48) | ESR1ESR2NR1I2CES2CES1 | |
| SCHEMBL1272266 | 0.78 | NR1I2 (0.41) | ESR1ESR2NR1I2CES2CES1 | |
| SCHEMBL2175953 | 0.78 | ESR1 (0.65) | ESR1ESR2 | |
| SCHEMBL1273068 | 0.78 | NR1I2 (0.41) | ESR1ESR2NR1I2CES2CES1 | |
| SCHEMBL1272903 | 0.78 | NR1I2 (0.41) | ESR1ESR2NR1I2CES2CES1 | |
| SCHEMBL23559271 | 0.77 | TPMT (0.39) | GSK3BCES2CES1TRPV1TPMT | |
| SCHEMBL24397778 | 0.76 | CES2 (0.57) | ESR1ESR2GSK3BCES2CES1 | |
| SCHEMBL21507928 | 0.76 | ESR1 (0.39) | ESR1ESR2NR1I2CES2CES1 | |
| SCHEMBL24397779 | 0.76 | CES2 (0.57) | ESR1ESR2GSK3BCES2CES1 |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102858743-B | Spiro-condensed cyclohexane derivatives as HSL inhibitors useful for the treatment of diabetes | HOFFMANN LA ROCHE | 2015-06-10 | — | — | CN | disclosed |
| EP-2488493-B1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | HOFFMANN LA ROCHE (CH) | 2015-04-15 | — | — | EP | disclosed |
| US-8722721-B2 | SEC-hydroxycyclohexyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2014-05-13 | — | — | US | disclosed |
| EP-2686299-A1 | SEC-HYDROXYCYCLOHEXYL DERIVATIVES AS HSL INHIBITORS FOR THE TREATMENT DIABETES | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-22 | — | — | EP | disclosed |
| EP-2430023-B1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | HOFFMANN LA ROCHE (CH) | 2013-12-11 | — | — | EP | disclosed |
| US-8440710-B2 | HSL inhibitors useful in the treatment of diabetes | HOFFMANN-LA ROCHE INC. (US) | 2013-05-14 | — | — | US | disclosed |
| US-8329904-B2 | Azacyclic derivatives | HOFFMANN-LA ROCHE INC. (US) | 2012-12-11 | — | — | US | disclosed |
| US-20120238613-A1 | SEC-HYDROXYCYCLOHEXYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-20 | — | — | US | disclosed |
| WO-2012123432-A1 | SEC-HYDROXYCYCLOHEXYL DERIVATIVES AS HSL INHIBITORS FOR THE TREATMENT DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-20 | — | — | WO | disclosed |
| EP-2488493-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. Hoffmann-La Roche AG (CH) | 2012-08-22 | — | — | EP | disclosed |
| US-20100204119-A1 | 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES | PFIZER INC | 2010-08-12 | — | — | US | disclosed |
| US-20100204119-A1 | 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES | PFIZER INC | 2010-08-12 | — | — | US | disclosed |
| US-20100204119-A1 | 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES | PFIZER INC | 2010-08-12 | — | — | US | disclosed |
| WO-2010086820-A1 | 4-AMINO-5-OXO-7, 8-DIHYDROPYRIMIDO [5,4-F] [1,4] OXAZEPIN-6 (5H) -YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | PFIZER INC. (US) | 2010-08-05 | — | — | WO | disclosed |
| WO-2010086820-A1 | 4-AMINO-5-OXO-7, 8-DIHYDROPYRIMIDO [5,4-F] [1,4] OXAZEPIN-6 (5H) -YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | PFIZER INC. (US) | 2010-08-05 | — | — | WO | disclosed |
| US-20100197591-A1 | 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES | PFIZER INC | 2010-08-05 | — | — | US | disclosed |
| EP-1697356-B1 | PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS | PFIZER PROD INC (US) | 2008-02-27 | — | — | EP | disclosed |
| US-20070135457-A1 | Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors | PFIZER INC. | 2007-06-14 | — | — | US | disclosed |
| EP-1697356-A1 | PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS | Pfizer Products Incorporated (US) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005061497-A1 | PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS | PFIZER PRODUCTS INC. (US) | 2005-07-07 | — | — | 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-20100204119-A1 | 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES | DGAT1, DGAT2, MOGAT2 | ESR1 3118/4885ESR2 2053/4885NR1I2 399/4885 |
| US-20100197591-A1 | 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES | CDK7, DPYD, DHFR | ESR1 1422/4885ESR2 1708/4885NR1I2 1047/4885 |
| US-20120238613-A1 | SEC-HYDROXYCYCLOHEXYL DERIVATIVES | SEC61B, SEC61A1, SEC22B | ESR1 294/4885ESR2 144/4885NR1I2 244/4885 |
| US-20070135457-A1 | Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors | PDE12, PDE2A, PDE3A | ESR1 3705/4885ESR2 2381/4885NR1I2 2029/4885 |
“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.