Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 5/20 | 0.53 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.43 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.43 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.41 |
| ▸ | CKS1B | P61024 | 2/20 | 0.40 |
| ▸ | SKP1 | P63208 | 2/20 | 0.40 |
| ▸ | SKP2 | Q13309 | 2/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8272245 | 0.85 | CKS1B (0.56) | ACKR3USP30OPRM1OPRK1OGFRL1 | |
| SCHEMBL14375423 | 0.85 | CKS1B (0.56) | ACKR3USP30OPRM1OPRK1OGFRL1 | |
| SCHEMBL14349272 | 0.81 | ACKR3 (0.43) | ACKR3USP30SMPD3SCD5HDAC1 | |
| SCHEMBL8271710 | 0.79 | ACKR3 (0.41) | ACKR3USP30HSD11B1OPRK1S1PR1 | |
| SCHEMBL4234552 | 0.79 | SMN1; SMN2 (0.48) | ACKR3HSD11B1POLB | |
| SCHEMBL4230456 | 0.77 | POLB (0.43) | USP30CKS1BSKP1SKP2NOTUM | |
| SCHEMBL23830989 | 0.74 | KDM4E (0.55) | TSHR | |
| SCHEMBL18228083 | 0.74 | KDM4E (0.55) | TSHR | |
| SCHEMBL15212339 | 0.73 | NOTUM (0.58) | ACKR3USP30SCD5NOTUM | |
| SCHEMBL2892698 | 0.73 | DGAT1 (0.47) | SCD5HDAC1HDAC6HDAC8S1PR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1797094-A4 | 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2009-06-03 | — | — | EP | disclosed |
| US-20070293515-A1 | 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists | MERCK SHARP & DOHME CORP. | 2007-12-20 | — | — | US | disclosed |
| EP-1797094-A2 | 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS | Merck & Co. Inc. (US) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006017409-A2 | 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2006-02-16 | — | — | 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 (1 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-20070293515-A1 | 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists | GRIN2B, GRIN2A, GRIN1 | ACKR3 1280/4885USP30 3350/4885SMPD3 4754/4885 |
“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.