Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 11/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.63 |
| ▸ | TSHR | P16473 | 7/20 | 0.63 |
| ▸ | USP2 | O75604 | 3/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | MGLL | Q99685 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8044838 | 0.94 | CYP2D6 (0.77) | CYP2D6ALDH1A1CYP3A4TSHRUSP2 | |
| SCHEMBL1426231 | 0.94 | CYP2D6 (0.64) | CYP2D6ALDH1A1CYP3A4TSHRUSP2 | |
| SCHEMBL27477846 | 0.94 | CYP2D6 (0.62) | CYP2D6ALDH1A1CYP3A4TSHRUSP2 | |
| SCHEMBL21262272 | 0.93 | CYP2D6 (0.60) | CYP2D6ALDH1A1CYP3A4TSHRUSP2 | |
| SCHEMBL4136438 | 0.93 | CYP2D6 (0.61) | CYP2D6ALDH1A1CYP3A4TSHRUSP2 | |
| SCHEMBL12526355 | 0.93 | CYP2D6 (0.69) | CYP2D6ALDH1A1CYP3A4TSHRUSP2 | |
| SCHEMBL31230964 | 0.90 | CYP2D6 (0.58) | CYP2D6ALDH1A1CYP3A4TSHRUSP2 | |
| SCHEMBL2381460 | 0.89 | CYP2D6 (0.59) | CYP2D6ALDH1A1CYP3A4TSHRUSP2 | |
| SCHEMBL8060453 | 0.89 | CYP2D6 (0.72) | CYP2D6ALDH1A1CYP3A4TSHRUSP2 | |
| SCHEMBL14027002 | 0.89 | CYP2D6 (0.65) | CYP2D6ALDH1A1CYP3A4TSHRUSP2 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9908897-B2 | Spirocyclic derivatives | CHRONOS THERAPEUTICS LIMITED (GB) | 2018-03-06 | — | — | US | disclosed |
| US-20170260185-A1 | 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) | CHRONOS THERAPEUTICS LIMITED (GB) | 2017-09-14 | — | — | US | disclosed |
| US-20170260185-A1 | 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) | CHRONOS THERAPEUTICS LIMITED (GB) | 2017-09-14 | — | — | US | disclosed |
| US-20170253615-A1 | Spirocyclic derivatives | SHIRE INTERNATIONAL GMBH (CH) | 2017-09-07 | — | — | US | disclosed |
| US-20170253615-A1 | Spirocyclic derivatives | SHIRE INTERNATIONAL GMBH (CH) | 2017-09-07 | — | — | US | disclosed |
| US-20170253615-A1 | Spirocyclic derivatives | SHIRE INTERNATIONAL GMBH (CH) | 2017-09-07 | — | — | US | disclosed |
| EP-3201195-A1 | SPIROCYCLIC DERIVATIVES | Chronos Therapeutics Limited (GB) | 2017-08-09 | — | — | EP | disclosed |
| WO-2016042452-A1 | Spirocyclic derivatives | SHIRE INTERNATIONAL GMBH (CH) | 2016-03-24 | — | — | WO | disclosed |
| WO-2016042451-A1 | 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) | SHIRE INTERNATIONAL GMBH (CH) | 2016-03-24 | — | — | WO | disclosed |
| WO-2016042452-A1 | Spirocyclic derivatives | SHIRE INTERNATIONAL GMBH (CH) | 2016-03-24 | — | — | WO | disclosed |
| WO-2013148537-A1 | SUBSTITUTED SPIROBICYCLIC COMPOUNDS AND METHODS OF USE | XI NING (US) | 2013-10-03 | — | — | WO | disclosed |
| WO-2013065712-A1 | DIAZASPIROUREA DERIVATIVE AND PHARMACEUTICAL USE THEREOF | 東レ株式会社 (JP) | 2013-05-10 | — | — | WO | disclosed |
| US-20090156575-A1 | NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES | ASTRAZENECA AB (SE) | 2009-06-18 | — | — | US | disclosed |
| US-20090156575-A1 | NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES | ASTRAZENECA AB (SE) | 2009-06-18 | — | — | US | disclosed |
| EP-1061076-A1 | N-ACYL CYCLIC AMINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2000-12-20 | — | — | EP | disclosed |
| US-6140333-A | FOR TREATMENT AND/OR PROPHYLAXIS OF DISEASES INCLUDE SUCH RESPIRATORY DISEASES AS CHRONIC OBSTRUCTIVE PULMONARY DISEASES, CHRONIC BRONCHITIS, ASTHMA, CHRONIC RESPIRATORY OBSTRUCTION, PULMONARY FIBROSIS, PULMONARY EMPHYSEMA | BANYU PHARMACEUTICAL CO LTD (JP) | 2000-10-31 | — | — | 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-20170260185-A1 | 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) | SLC6A3, SLC6A4, SLC6A2 | CYP2D6 927/4885ALDH1A1 1034/4885CYP3A4 518/4885 |
| US-20090156575-A1 | NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES | CCR8, CCR1, CCR10 | CYP2D6 1868/4885ALDH1A1 1599/4885CYP3A4 3516/4885 |
| US-20170253615-A1 | Spirocyclic derivatives | SLC6A3, SLC10A1, ABCB11 | CYP2D6 372/4885ALDH1A1 549/4885CYP3A4 1808/4885 |
“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.