Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.52 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.52 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.51 |
| ▸ | KDM1A | O60341 | 1/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | JAK3 | P52333 | 1/20 | 0.46 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 3/20 | 0.46 |
| ▸ | HTR6 | P50406 | 3/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5870792 | 0.87 | ACKR3 (0.67) | ACKR3GPR119IRAK1KDM1ANAMPT | |
| SCHEMBL5871116 | 0.87 | ACKR3 (0.67) | ACKR3GPR119IRAK1KDM1ANAMPT | |
| SCHEMBL18228060 | 0.85 | CYP3A4 (0.53) | CYP2C9CYP3A4CYP2D6GRIN2BALDH1A1 | |
| SCHEMBL4930924 | 0.84 | CYP2C9 (0.50) | ACKR3CYP2C9GPR119IRAK1KDM1A | |
| SCHEMBL21605819 | 0.81 | ACKR3 (0.57) | ACKR3IRAK1KDM1AIDO1TDO2 | |
| SCHEMBL21605820 | 0.81 | ACKR3 (0.57) | ACKR3IRAK1KDM1AIDO1TDO2 | |
| SCHEMBL16333276 | 0.81 | ACKR3 (0.57) | ACKR3IRAK1KDM1AIDO1TDO2 | |
| SCHEMBL5665496 | 0.81 | CYP2C9 (0.53) | ACKR3CYP2C9IRAK1KDM1AIDO1 | |
| SCHEMBL780721 | 0.81 | GPR119 (0.48) | CYP2C9CYP3A4CYP2D6GRIN2BGPR119 | |
| SCHEMBL21604603 | 0.80 | ACKR3 (0.52) | ACKR3CYP2C9GPR119IRAK1KDM1A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7129228-B2 | Heterocyclic analgesic compounds and methods of use thereof | SEPRACOR INC. (US) | 2006-10-31 | — | — | US | disclosed |
| US-20040209846-A1 | Heterocyclic analgesic compounds and methods of use thereof | CUNY GREGORY D (US) | 2004-10-21 | — | — | US | disclosed |
| US-6677332-B1 | AMIDE-SUBSTITUTED PIPERIDINE OR AZEPINE DERIVATIVES TO TREAT DRUG ABUSE AND TINNITUS | SEPRACOR, INC. | 2004-01-13 | — | — | US | disclosed |
| US-6645980-B1 | Ligands for biological receptors such as opiate receptors or G-protein coupled receptors used for treating pain, drug dependence or tinnitus in mammals | SEPRACOR INC. | 2003-11-11 | — | — | US | disclosed |
| US-6635661-B2 | Piperidinyl amide compounds | SEPRACOR INC. | 2003-10-21 | — | — | US | disclosed |
| WO-2002069895-A2 | HETEROCYCLIC ANALGESIC COMPOUNDS AND METHODS OF USE THEREOF | SEPRACOR, INC. (US) | 2002-09-12 | — | — | WO | disclosed |
| US-20020016337-A1 | Heterocyclic analgesic compounds and methods of use thereof | SEPRACOR INC. | 2002-02-07 | — | — | 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 (2 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-20040209846-A1 | Heterocyclic analgesic compounds and methods of use thereof | OPRL1, TRPV1, OPRK1 | ACKR3 248/4885CYP2C9 794/4885CYP3A4 655/4885 |
| US-20020016337-A1 | Heterocyclic analgesic compounds and methods of use thereof | OPRL1, TRPV1, OPRK1 | ACKR3 248/4885CYP2C9 794/4885CYP3A4 655/4885 |
“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.