Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.64 |
| ▸ | CES1 | P23141 | 2/20 | 0.64 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.58 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.58 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.58 |
| ▸ | PARP1 | P09874 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.48 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.48 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15007480 | 1.00 | CES2 (0.64) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL8015553 | 0.86 | CES2 (0.61) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL5883596 | 0.85 | CES2 (0.59) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL27243732 | 0.84 | CES2 (0.68) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL312334 | 0.83 | CES2 (0.57) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL311119 | 0.83 | PARP1 (0.58) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL23571745 | 0.80 | CES2 (0.54) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL31351227 | 0.80 | CES2 (0.54) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL29760496 | 0.80 | CES2 (0.54) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL28572956 | 0.80 | CES2 (0.54) | CES2CES1CHRNB2SLC6A2CHRNB4 |
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-107011332-B | Pyrazole compounds as CRTH2 antagonists | GB007公司 | 2020-03-13 | — | — | CN | disclosed |
| US-9527823-B2 | Hydroxybupropion analogues for treating drug dependence | RESEARCH TRIANGLE INSTITUTE (US) | 2016-12-27 | — | — | US | disclosed |
| EP-2571859-B1 | 1-PHENYLMORPHOLINE DERIVATIVES AS HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE | RES TRIANGLE INST (US) | 2015-07-22 | — | — | EP | disclosed |
| US-20150141416-A1 | HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE | RESEARCH TRIANGLE INSTITUTE | 2015-05-21 | — | — | US | disclosed |
| US-8906908-B2 | Hydroxybupropion analogues for treating drug dependence | RESEARCH TRIANGLE INSTITUTE (US) | 2014-12-09 | — | — | US | disclosed |
| EP-2668181-B1 | PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2014-11-05 | — | — | EP | disclosed |
| US-8759386-B2 | Pyrazole compounds as CRTH2 antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-06-24 | — | — | US | disclosed |
| EP-2668181-A1 | PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2013-12-04 | — | — | EP | disclosed |
| CN-103339125-A | Pyrazole compounds as CRTH2 antagonists | BOEHRINGER INGELHEIM INT | 2013-10-02 | — | — | CN | disclosed |
| US-20130150357-A1 | HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE | RESEARCH TRIANGLE INSTITUTE (US) | 2013-06-13 | — | — | US | disclosed |
| EP-2571859-A2 | HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE | Research Triangle Institute (US) | 2013-03-27 | — | — | EP | disclosed |
| US-20130023576-A1 | Pyrazole Compounds as CRTH2 Antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-01-24 | — | — | US | disclosed |
| WO-2012101043-A1 | PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-02 | — | — | WO | disclosed |
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2011146821-A2 | 1 - PHENYLMORPHOLINE DERIVATIVES AS HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE | RESEARCH TRIANGLE INSTITUTE (US) | 2011-11-24 | — | — | WO | disclosed |
| EP-1048737-B1 | Stereoselective synthesis of 2-hydroxycétones | FORSCHUNGSZENTRUM JUELICH GMBH (DE) | 2007-06-06 | — | — | EP | disclosed |
| US-4302601-A | 5-FLUORO-2-(2-HYDROXY-3-T-BUTYLAMINO-PROPOXY)-BUTYROPHENONE | C M INDUSTRIES (FR) | 1981-11-24 | — | — | US | disclosed |
| US-4252825-A | 5-FLUORO-2-(2-HYDROXY-3-TERT-BUTYL AMINO-PROPOXY) BUTYROPHENONE | C. M. INDUSTRIES (FR) | 1981-02-24 | — | — | US | disclosed |
| US-4002423-A | Benzofuran derivatives process for their preparation and their use as optical brighteners | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-01-11 | — | — | US | 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-20130023576-A1 | Pyrazole Compounds as CRTH2 Antagonists | HRH2, HRH1, HRH4 | CES2 3683/4885CES1 2861/4885CHRNB2 1887/4885 |
| US-20130150357-A1 | HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE | SLC6A2, SLC6A3, HTR3B | CES2 91/4885CES1 333/4885CHRNB2 40/4885 |
| US-20150141416-A1 | HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE | SLC6A2, SLC6A3, HTR3B | CES2 91/4885CES1 333/4885CHRNB2 40/4885 |
“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.