Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.54 |
| ▸ | CES1 | P23141 | 3/20 | 0.54 |
| ▸ | GSK3B | P49841 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL3142251 | 0.82 | CES2 (0.50) | CES2CES1HCAR1DRD2MEN1 | |
| SCHEMBL24710640 | 0.81 | RAB9A (0.42) | CES2CES1GSK3BALDH1A1HIF1A | |
| SCHEMBL19367869 | 0.80 | CES1 (0.59) | CES2CES1MAPK1HCAR1TP53 | |
| SCHEMBL2795423 | 0.79 | CES2 (0.56) | CES2CES1GSK3BALDH1A1HIF1A | |
| SCHEMBL4368509 | 0.79 | CES2 (0.61) | CES2CES1GSK3BALDH1A1HIF1A | |
| SCHEMBL363750 | 0.78 | CES2 (0.56) | CES2CES1HCAR1DRD2NPC1 | |
| SCHEMBL4361178 | 0.78 | CES2 (0.56) | CES2CES1HCAR1DRD2MAPT | |
| SCHEMBL20819373 | 0.77 | HCAR2 (0.60) | CES2CES1GSK3BALDH1A1HIF1A | |
| SCHEMBL634159 | 0.76 | CES2 (0.54) | CES2CES1ALDH1A1HCAR1MAPT | |
| SCHEMBL16215481 | 0.76 | CES2 (0.54) | CES2CES1HCAR1DRD2NPC1 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1128778-C | 2,4,6-trichloro-3,5-difluoro acetophenone and its preparation | LUYUAN NEW CHEMICAL CO LTD DAL (CN) | 2003-11-26 | — | — | CN | claimed |
| CN-1310162-A | 2,4,6-trichloro-3,5-difluoro acetophenone and its preparation | DALIAN LUYUAN INDUSTRY CO LTD (CN) | 2001-08-29 | — | — | CN | claimed |
| CN-102503794-A | Method for preparing fluorine-containing substituted phenyl ketone | ASYMCHEM LAB TIANJIN CO LTD | 2012-06-20 | — | — | CN | disclosed |
| US-20100256140-A1 | INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES | BISSANTZ CATERINA | 2010-10-07 | — | — | US | disclosed |
| US-7803815-B2 | Indol-3-yl-corbonyl-piperidin-benzoimidazol derivatives | HOFFMANN-LA ROCHE INC. (US) | 2010-09-28 | — | — | US | disclosed |
| US-7629353-B2 | Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists | HOFFMAN-LA ROCHE INC. (US) | 2009-12-08 | — | — | US | disclosed |
| EP-1904477-B1 | INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2009-01-21 | — | — | EP | disclosed |
| EP-1912976-B1 | INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOLE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2008-11-12 | — | — | EP | disclosed |
| US-20080146557-A1 | INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS | BISSANTZ CATERINA | 2008-06-19 | — | — | US | disclosed |
| EP-1912976-A1 | INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-04-23 | — | — | EP | disclosed |
| EP-1904477-A1 | INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-04-02 | — | — | EP | disclosed |
| US-7332501-B2 | Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2008-02-19 | — | — | US | disclosed |
| US-20070027173-A1 | Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 2007-02-01 | — | — | US | disclosed |
| WO-2007009906-A1 | INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-01-25 | — | — | WO | disclosed |
| US-20070021463-A1 | Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives | HOFFMANN-LA ROCHE INC. | 2007-01-25 | — | — | US | disclosed |
| WO-2007006688-A1 | INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-01-18 | — | — | WO | disclosed |
| CN-1219769-C | New process for preparing quinolone-carboxylic acid | DALIAN LYNCHEM CO LTD (CN) | 2005-09-21 | — | — | CN | disclosed |
| CN-1128778-C | 2,4,6-trichloro-3,5-difluoro acetophenone and its preparation | LUYUAN NEW CHEMICAL CO LTD DAL (CN) | 2003-11-26 | — | — | CN | disclosed |
| CN-1338455-A | Process for preparing quinolone carboxylic acid | LUYUAN INDUSTRY CO LTD DALIAN (CN) | 2002-03-06 | — | — | CN | disclosed |
| CN-1310162-A | 2,4,6-trichloro-3,5-difluoro acetophenone and its preparation | DALIAN LUYUAN INDUSTRY CO LTD (CN) | 2001-08-29 | — | — | CN | 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-20100256140-A1 | INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES | AVPR1A, AVPR2, AVPR1B | CES2 4443/4885CES1 3490/4885GSK3B 2482/4885 |
| US-20070027173-A1 | Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists | AVPR1A, AVPR2, AVPR1B | CES2 3166/4885CES1 1806/4885GSK3B 2059/4885 |
| US-20070021463-A1 | Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives | AVPR1A, AVPR2, AVPR1B | CES2 4443/4885CES1 3490/4885GSK3B 2482/4885 |
| US-20080146557-A1 | INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS | AVPR1A, AVPR2, OXTR | CES2 3597/4885CES1 2547/4885GSK3B 2964/4885 |
“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.