Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.42 |
| ▸ | CTSD | P07339 | 1/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
| ▸ | FNTB | P49356 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | GLS | O94925 | 2/20 | 0.40 |
| ▸ | FEN1 | P39748 | 2/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.39 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5870789 | 0.91 | CYP2C9 (0.46) | CYP2C9GPR119BACE1ACKR3CTSD | |
| SCHEMBL5870788 | 0.88 | ACKR3 (0.50) | BACE1ACKR3CTSDKDM1AFEN1 | |
| SCHEMBL5870776 | 0.88 | ACKR3 (0.50) | BACE1ACKR3CTSDKDM1AFEN1 | |
| SCHEMBL5871030 | 0.88 | ACKR3 (0.50) | BACE1ACKR3CTSDKDM1AFEN1 | |
| SCHEMBL5870884 | 0.84 | CYP2C9 (0.43) | CYP2C9GPR119BACE1ACKR3CTSD | |
| SCHEMBL5870963 | 0.79 | KAT7 (0.46) | GPR119BACE1ACKR3CTSDKDM1A | |
| SCHEMBL5870830 | 0.79 | ACHE (0.56) | CYP2C9ACKR3KDM1AFEN1 | |
| SCHEMBL5870690 | 0.79 | ACKR3 (0.49) | BACE1ACKR3CTSDKDM1AFEN1 | |
| SCHEMBL5870694 | 0.79 | PTPRB (0.52) | BACE1ACKR3CTSDKDM1AFEN1 | |
| SCHEMBL5870688 | 0.78 | ACKR3 (0.54) | CYP2C9GPR119ACKR3KDM1AGLS |
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 |
| US-20020016337-A1 | Heterocyclic analgesic compounds and methods of use thereof | SEPRACOR INC. | 2002-02-07 | — | — | US | disclosed |
| WO-2001092226-A1 | HETEROCYCLIC ANALGESIC COMPOUNDS AND METHOD OF USE THEREOF | SEPRACOR, INC. (US) | 2001-12-06 | — | — | 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 (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 | CYP2C9 794/4885GPR119 697/4885BACE1 3597/4885 |
| US-20020016337-A1 | Heterocyclic analgesic compounds and methods of use thereof | OPRL1, TRPV1, OPRK1 | CYP2C9 794/4885GPR119 697/4885BACE1 3597/4885 |
“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.